N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine

C16H23Cl2NO — CID 63499376

IUPACN-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C16H23Cl2NO/c1-11(2)19-9-13-7-14(17)8-15(18)16(13)20-10-12-5-3-4-6-12/h7-8,11-12,19H,3-6,9-10H2,1-2H3
InChIKeyZKDOTVYYXKUEFQ-UHFFFAOYSA-N
MW316.27 g/mol
LogP5.06
Rot. Bonds6

About N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine

N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 63499376) has the molecular formula C16H23Cl2NO and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID63499376
Molecular FormulaC16H23Cl2NO
Molecular Weight316.27 g/mol
Exact Mass315.12
IUPAC NameN-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(Cl)cc(Cl)c1OCC1CCCC1
InChIInChI=1S/C16H23Cl2NO/c1-11(2)19-9-13-7-14(17)8-15(18)16(13)20-10-12-5-3-4-6-12/h7-8,11-12,19H,3-6,9-10H2,1-2H3
InChIKeyZKDOTVYYXKUEFQ-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.27
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dichloro-2-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43515830
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
N-cyclopropyl-2-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]acetamide
CID 43515834
N-[(3,5-dichloro-2-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 43515840
N-[[3,5-dichloro-2-(2-methylprop-2-enoxy)phenyl]methyl]propan-2-amine
CID 60887324
1-[3,5-dichloro-2-(cyclopropylmethoxy)phenyl]propan-2-amine;hydrochloride
CID 170894134
N-[(2-but-2-ynoxy-3,5-dichlorophenyl)methyl]propan-2-amine
CID 55057886
2-[3,5-dichloro-2-(cyclobutylmethoxy)phenyl]ethanamine
CID 65459079
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
N-[[2-[(4-bromothiophen-2-yl)methoxy]-3,5-dichlorophenyl]methyl]propan-2-amine
CID 63499377

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine (CID 63499376) is N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(Cl)cc(Cl)c1OCC1CCCC1.
What is the InChIKey of N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is ZKDOTVYYXKUEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl2NO/c1-11(2)19-9-13-7-14(17)8-15(18)16(13)20-10-12-5-3-4-6-12/h7-8,11-12,19H,3-6,9-10H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3,5-dichloro-2-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 316.27 g/mol, XLogP of 5.06, 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-(cyclopentylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63499376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).