N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine

C25H29Cl2NO2 — CID 66529624

IUPACN-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
SMILESCOc1cc(CNC2C3CC4CC(C3)CC2C4)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C25H29Cl2NO2/c1-29-23-11-20(13-28-25-18-7-15-6-16(9-18)10-19(25)8-15)22(27)12-24(23)30-14-17-4-2-3-5-21(17)26/h2-5,11-12,15-16,18-19,25,28H,6-10,13-14H2,1H3
InChIKeySYLSMEQXLXBKKH-UHFFFAOYSA-N
MW446.42 g/mol
LogP6.50
Rot. Bonds7

About N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine

N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine (PubChem CID 66529624) has the molecular formula C25H29Cl2NO2 and a molecular weight of 446.42 g/mol. Its IUPAC name is N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
PubChem CID66529624
Molecular FormulaC25H29Cl2NO2
Molecular Weight446.42 g/mol
Exact Mass445.16
IUPAC NameN-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
SMILESCOc1cc(CNC2C3CC4CC(C3)CC2C4)c(Cl)cc1OCc1ccccc1Cl
InChIInChI=1S/C25H29Cl2NO2/c1-29-23-11-20(13-28-25-18-7-15-6-16(9-18)10-19(25)8-15)22(27)12-24(23)30-14-17-4-2-3-5-21(17)26/h2-5,11-12,15-16,18-19,25,28H,6-10,13-14H2,1H3
InChIKeySYLSMEQXLXBKKH-UHFFFAOYSA-N
XLogP6.50
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.42
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopropanamine
CID 66529595
N-[(2-bromo-5-methoxy-4-phenylmethoxyphenyl)methyl]adamantan-2-amine
CID 66533818
N-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 66531155
N-[[3-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine
CID 4721781
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1,2,4-triazol-4-amine
CID 66539592
2-[2-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methylamino]ethylamino]ethanol
CID 66537211
N-[[2-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]cyclopentanamine
CID 66534455
N-[[2-chloro-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]cycloheptanamine
CID 66529378
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
N-[[6-bromo-2-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]adamantan-2-amine
CID 66536577
3-chloro-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-4-methoxyaniline
CID 66542482
1-N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]tetrazole-1,5-diamine
CID 66539612

Frequently Asked Questions

What is the IUPAC name of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine?
The IUPAC name of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine (CID 66529624) is N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine is COc1cc(CNC2C3CC4CC(C3)CC2C4)c(Cl)cc1OCc1ccccc1Cl.
What is the InChIKey of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine?
The InChIKey is SYLSMEQXLXBKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2NO2/c1-29-23-11-20(13-28-25-18-7-15-6-16(9-18)10-19(25)8-15)22(27)12-24(23)30-14-17-4-2-3-5-21(17)26/h2-5,11-12,15-16,18-19,25,28H,6-10,13-14H2,1H3.
What are the key properties of N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine?
N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine has a molecular weight of 446.42 g/mol, XLogP of 6.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine is sourced from PubChem (CID 66529624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).