N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine

C14H22ClNO — CID 103910375

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-12(16-9-3-4-10-17-2)11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyDGCLVOWSMMBLAM-UHFFFAOYSA-N
MW255.79 g/mol
LogP3.29
Rot. Bonds8

About N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine

N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine (PubChem CID 103910375) has the molecular formula C14H22ClNO and a molecular weight of 255.79 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
PubChem CID103910375
Molecular FormulaC14H22ClNO
Molecular Weight255.79 g/mol
Exact Mass255.14
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine
SMILESCOCCCCNC(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C14H22ClNO/c1-12(16-9-3-4-10-17-2)11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyDGCLVOWSMMBLAM-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.79
LogP ≤ 53.29
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

N-(3-methoxypropyl)-1-(4-methylphenyl)propan-2-amine
CID 115705142
N-[1-(4-chlorophenyl)propan-2-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103910607
(2R)-1-(4-fluorophenyl)-N-(3-methoxypropyl)propan-2-amine
CID 7047069
methyl 4-[1-(4-chlorophenyl)propan-2-ylamino]butanoate
CID 103917108
3-[1-(4-chlorophenyl)propan-2-ylamino]-N-(2-methoxyethyl)propanamide
CID 103910437
N-(2-chloroethyl)-1-(4-chlorophenyl)propan-2-amine;hydrochloride
CID 160563522
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
1-(4-chlorophenyl)-N-[2-[2-(dimethylamino)ethoxy]ethyl]propan-2-amine
CID 107094072
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
N-[1-(4-chlorophenyl)propan-2-yl]pent-3-yn-1-amine
CID 104928140
1-(4-chlorophenyl)-N-[2-(2-methoxyphenyl)ethyl]propan-2-amine
CID 103910225
N-[(2R)-1-phenylpropan-2-yl]-N'-[(2S)-1-phenylpropan-2-yl]nonane-1,9-diamine
CID 7272117

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine (CID 103910375) is N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine is COCCCCNC(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine?
The InChIKey is DGCLVOWSMMBLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNO/c1-12(16-9-3-4-10-17-2)11-13-5-7-14(15)8-6-13/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine has a molecular weight of 255.79 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-4-methoxybutan-1-amine is sourced from PubChem (CID 103910375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).