N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine

C15H23Cl2NO — CID 107890855

IUPACN-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCCCC(C)Oc1c(Cl)cc(Cl)cc1CNC(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-6-11(4)19-15-12(9-18-10(2)3)7-13(16)8-14(15)17/h7-8,10-11,18H,5-6,9H2,1-4H3
InChIKeyPFLHHUNLSOLSHO-UHFFFAOYSA-N
MW304.26 g/mol
LogP5.06
Rot. Bonds7

About N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine

N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine (PubChem CID 107890855) has the molecular formula C15H23Cl2NO and a molecular weight of 304.26 g/mol. Its IUPAC name is N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
PubChem CID107890855
Molecular FormulaC15H23Cl2NO
Molecular Weight304.26 g/mol
Exact Mass303.12
IUPAC NameN-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine
SMILESCCCC(C)Oc1c(Cl)cc(Cl)cc1CNC(C)C
InChIInChI=1S/C15H23Cl2NO/c1-5-6-11(4)19-15-12(9-18-10(2)3)7-13(16)8-14(15)17/h7-8,10-11,18H,5-6,9H2,1-4H3
InChIKeyPFLHHUNLSOLSHO-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.26
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]butanamide
CID 62900773
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
N-[(2-but-2-ynoxy-3,5-dichlorophenyl)methyl]propan-2-amine
CID 55057886
N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
CID 63499376
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]methyl]propan-2-amine
CID 63499377
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-2-amine
CID 17156494
N-[[3,5-dichloro-2-(4,4,4-trifluorobutoxy)phenyl]methyl]propan-2-amine
CID 115513158
3-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63902462
2-[2,4-dichloro-6-(ethylaminomethyl)phenoxy]pentanoic acid
CID 83037579
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 17156731

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine?
The IUPAC name of N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine (CID 107890855) is N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine is CCCC(C)Oc1c(Cl)cc(Cl)cc1CNC(C)C.
What is the InChIKey of N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine?
The InChIKey is PFLHHUNLSOLSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23Cl2NO/c1-5-6-11(4)19-15-12(9-18-10(2)3)7-13(16)8-14(15)17/h7-8,10-11,18H,5-6,9H2,1-4H3.
What are the key properties of N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine?
N-[(3,5-dichloro-2-pentan-2-yloxyphenyl)methyl]propan-2-amine has a molecular weight of 304.26 g/mol, XLogP of 5.06, 7 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-pentan-2-yloxyphenyl)methyl]propan-2-amine is sourced from PubChem (CID 107890855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).