N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine

C25H29Cl2NO — CID 35697691

IUPACN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CNC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C25H29Cl2NO/c1-15-2-4-16(5-3-15)14-29-25-21(11-22(26)12-23(25)27)13-28-24-19-7-17-6-18(9-19)10-20(24)8-17/h2-5,11-12,17-20,24,28H,6-10,13-14H2,1H3
InChIKeyUDQSDYAZIJJNIE-UHFFFAOYSA-N
MW430.42 g/mol
LogP6.80
Rot. Bonds6

About N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine (PubChem CID 35697691) has the molecular formula C25H29Cl2NO and a molecular weight of 430.42 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
PubChem CID35697691
Molecular FormulaC25H29Cl2NO
Molecular Weight430.42 g/mol
Exact Mass429.16
IUPAC NameN-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine
SMILESCc1ccc(COc2c(Cl)cc(Cl)cc2CNC2C3CC4CC(C3)CC2C4)cc1
InChIInChI=1S/C25H29Cl2NO/c1-15-2-4-16(5-3-15)14-29-25-21(11-22(26)12-23(25)27)13-28-24-19-7-17-6-18(9-19)10-20(24)8-17/h2-5,11-12,17-20,24,28H,6-10,13-14H2,1H3
InChIKeyUDQSDYAZIJJNIE-UHFFFAOYSA-N
XLogP6.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.42
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]cycloheptanamine
CID 35697968
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 35697855
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-N',N'-dimethylpropane-1,3-diamine
CID 35697888
(1S)-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]-1-phenylethanamine
CID 35697732
N-[[2-[(4-chlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721649
N-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 4721661
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
3-butoxy-N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 17207869
N-[[2-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]adamantan-2-amine
CID 66531155
N-[[3,5-dichloro-2-(pyridin-4-ylmethoxy)phenyl]methyl]cyclopropanamine
CID 43515875

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The IUPAC name of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine (CID 35697691) is N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The canonical SMILES for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine is Cc1ccc(COc2c(Cl)cc(Cl)cc2CNC2C3CC4CC(C3)CC2C4)cc1.
What is the InChIKey of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine?
The InChIKey is UDQSDYAZIJJNIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29Cl2NO/c1-15-2-4-16(5-3-15)14-29-25-21(11-22(26)12-23(25)27)13-28-24-19-7-17-6-18(9-19)10-20(24)8-17/h2-5,11-12,17-20,24,28H,6-10,13-14H2,1H3.
What are the key properties of N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine?
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine has a molecular weight of 430.42 g/mol, XLogP of 6.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]adamantan-2-amine is sourced from PubChem (CID 35697691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).