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

C15H22ClNO — CID 62911549

IUPACN-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-3-8-17-11(2)13-6-7-15(14(16)9-13)18-10-12-4-5-12/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3
InChIKeyNLLQRZKURLJOIX-UHFFFAOYSA-N
MW267.80 g/mol
LogP4.19
Rot. Bonds7

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

N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine (PubChem CID 62911549) has the molecular formula C15H22ClNO and a molecular weight of 267.80 g/mol. Its IUPAC name is N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
PubChem CID62911549
Molecular FormulaC15H22ClNO
Molecular Weight267.80 g/mol
Exact Mass267.14
IUPAC NameN-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(OCC2CC2)c(Cl)c1
InChIInChI=1S/C15H22ClNO/c1-3-8-17-11(2)13-6-7-15(14(16)9-13)18-10-12-4-5-12/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3
InChIKeyNLLQRZKURLJOIX-UHFFFAOYSA-N
XLogP4.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-chloro-4-(cyclopentylmethoxy)phenyl]ethyl]propan-1-amine
CID 66323711
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
2-chloro-N-(cyclopropylmethyl)-N-methyl-4-[1-(propylamino)ethyl]aniline
CID 55132080
3-[3-chloro-4-(cyclopropylmethoxy)phenyl]butanal
CID 117384856
N-[1-[3-chloro-4-(4-methylphenoxy)phenyl]ethyl]propan-1-amine
CID 63533466
[1-[2-chloro-4-[1-(propylamino)ethyl]phenyl]piperidin-4-yl]methanol
CID 62909344
N-[1-[2-(cyclopropylmethoxy)-4-methoxyphenyl]ethyl]propan-1-amine
CID 82000646
1-[3-chloro-4-(4-methylcyclohexyl)oxyphenyl]-N-ethylethanamine
CID 63531958
N-[1-(3,4-dipropoxyphenyl)ethyl]propan-1-amine
CID 43108101
N-[[3-chloro-4-(cyclobutylmethoxy)phenyl]methyl]propan-2-amine
CID 65459381

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine (CID 62911549) is N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(OCC2CC2)c(Cl)c1.
What is the InChIKey of N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine?
The InChIKey is NLLQRZKURLJOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClNO/c1-3-8-17-11(2)13-6-7-15(14(16)9-13)18-10-12-4-5-12/h6-7,9,11-12,17H,3-5,8,10H2,1-2H3.
What are the key properties of N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine?
N-[1-[3-chloro-4-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine has a molecular weight of 267.80 g/mol, XLogP of 4.19, 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-(cyclopropylmethoxy)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62911549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).