N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine

C17H26ClNO — CID 66323711

IUPACN-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC2CCCC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-3-10-19-13(2)15-8-9-17(16(18)11-15)20-12-14-6-4-5-7-14/h8-9,11,13-14,19H,3-7,10,12H2,1-2H3
InChIKeyRGOZODQEJSIMGW-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.97
Rot. Bonds7

About N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine

N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 66323711) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
PubChem CID66323711
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC2CCCC2)c(Cl)c1
InChIInChI=1S/C17H26ClNO/c1-3-10-19-13(2)15-8-9-17(16(18)11-15)20-12-14-6-4-5-7-14/h8-9,11,13-14,19H,3-7,10,12H2,1-2H3
InChIKeyRGOZODQEJSIMGW-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
CID 62911549
1-[3-chloro-4-(cyclopropylmethoxy)phenyl]-N-ethylethanamine
CID 62911548
N-[1-[4-(cyclopropylmethoxy)-3-methylphenyl]ethyl]propan-1-amine
CID 113386847
N-[1-(3-chloro-4-phenylmethoxyphenyl)ethyl]propan-1-amine
CID 63533463
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381
2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 55132080
N-[1-[3-chloro-4-(4-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 63533466
1-(3-chloro-4-cycloheptyloxyphenyl)-N-ethylethanamine
CID 63532897
N-[1-[4-bromo-2-(cyclobutylmethoxy)phenyl]ethyl]propan-1-amine
CID 102947868
1-[5-chloro-2-(cyclopentylmethoxy)phenyl]-N-ethylethanamine
CID 63499775
[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 62909344
N-[1-(3-bromo-4-cyclohexyloxyphenyl)ethyl]propan-1-amine
CID 63533305

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine (CID 66323711) is N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCC2CCCC2)c(Cl)c1.
What is the InChIKey of N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is RGOZODQEJSIMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-10-19-13(2)15-8-9-17(16(18)11-15)20-12-14-6-4-5-7-14/h8-9,11,13-14,19H,3-7,10,12H2,1-2H3.
What are the key properties of N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.97, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 66323711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).