1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine

C15H22ClNO — CID 113277136

IUPAC1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCC1CCCC1
InChIInChI=1S/C15H22ClNO/c1-11(17)9-13-14(16)7-4-8-15(13)18-10-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10,17H2,1H3
InChIKeyAORCSVRGEJCTOM-UHFFFAOYSA-N
MW267.80 g/mol
LogP3.80
Rot. Bonds5

About 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine

1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine (PubChem CID 113277136) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
PubChem CID113277136
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC Name1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1c(Cl)cccc1OCC1CCCC1
InChIInChI=1S/C15H22ClNO/c1-11(17)9-13-14(16)7-4-8-15(13)18-10-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10,17H2,1H3
InChIKeyAORCSVRGEJCTOM-UHFFFAOYSA-N
XLogP3.80
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-chloro-6-(cyclohexylmethoxy)phenyl]butan-2-amine
CID 114322036
1-(2-chloro-6-cyclohexyloxyphenyl)propan-2-amine
CID 114321808
1-[2-chloro-6-(2-methylpropoxy)phenyl]propan-2-amine
CID 114321739
1-[2-chloro-3-(cyclopropylmethoxy)phenyl]propan-2-amine
CID 117352245
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
1-(2-chloro-6-cyclohexylsulfanylphenyl)propan-2-amine
CID 55238553
1-[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]propan-2-amine
CID 114321838
1-[2-chloro-6-(thiophen-2-ylmethoxy)phenyl]propan-2-amine
CID 113277151
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
1-[5-chloro-2-(cyclobutylmethoxy)phenyl]propan-2-amine
CID 65459305
2-bromo-1-chloro-3-(cyclohexylmethoxy)benzene
CID 156587194
1-[4-(cyclopentylmethoxy)-3-ethoxyphenyl]propan-2-amine
CID 61342843

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine (CID 113277136) is 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine is CC(N)Cc1c(Cl)cccc1OCC1CCCC1.
What is the InChIKey of 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine?
The InChIKey is AORCSVRGEJCTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-11(17)9-13-14(16)7-4-8-15(13)18-10-12-5-2-3-6-12/h4,7-8,11-12H,2-3,5-6,9-10,17H2,1H3.
What are the key properties of 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine?
1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine has a molecular weight of 267.80 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-6-(cyclopentylmethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 113277136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).