N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine

C13H20ClNO — CID 119139076

IUPACN-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-11(10-16-2)15-8-4-6-12-5-3-7-13(14)9-12/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3
InChIKeyAHXJHKAGHBAESL-UHFFFAOYSA-N
MW241.76 g/mol
LogP2.90
Rot. Bonds7

About N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine

N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine (PubChem CID 119139076) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine.

Molecular Properties

Compound NameN-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
PubChem CID119139076
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC NameN-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine
SMILESCOCC(C)NCCCc1cccc(Cl)c1
InChIInChI=1S/C13H20ClNO/c1-11(10-16-2)15-8-4-6-12-5-3-7-13(14)9-12/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3
InChIKeyAHXJHKAGHBAESL-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-N-[2-(3-methylphenyl)ethyl]propan-2-amine
CID 62536445
N-[3-(3-chlorophenyl)propoxy]methanamine
CID 117126890
N-[(3-chlorophenyl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 65050293
4-(3-chlorophenyl)-1-methoxybutan-2-amine
CID 62321131
4-(3-chlorophenyl)-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 64666080
(2S)-N-[2-(3-chlorophenyl)ethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine
CID 7446049
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-2-amine
CID 43694732
1-chloro-3-(7-methyloctyl)benzene
CID 168947295
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methoxypropan-2-amine
CID 81366148
N-[2-(3-chlorophenyl)ethyl]-1-(2-methylphenyl)propan-2-amine
CID 57156795
1-(4-methoxyphenyl)-N-[3-(3-methoxyphenyl)propyl]propan-2-amine
CID 110185121

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine?
The IUPAC name of N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine (CID 119139076) is N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine.
What is the SMILES notation for N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine?
The canonical SMILES for N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine is COCC(C)NCCCc1cccc(Cl)c1.
What is the InChIKey of N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine?
The InChIKey is AHXJHKAGHBAESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-11(10-16-2)15-8-4-6-12-5-3-7-13(14)9-12/h3,5,7,9,11,15H,4,6,8,10H2,1-2H3.
What are the key properties of N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine?
N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine has a molecular weight of 241.76 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-chlorophenyl)propyl]-1-methoxypropan-2-amine is sourced from PubChem (CID 119139076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).