1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine

C15H24ClNO — CID 113259992

IUPAC1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine
SMILESCOC(C)C(C)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H24ClNO/c1-10(2)15(17-11(3)12(4)18-5)13-6-8-14(16)9-7-13/h6-12,15,17H,1-5H3
InChIKeyDVRHDOZROMJYQC-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.05
Rot. Bonds6

About 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine

1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine (PubChem CID 113259992) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine
PubChem CID113259992
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine
SMILESCOC(C)C(C)NC(c1ccc(Cl)cc1)C(C)C
InChIInChI=1S/C15H24ClNO/c1-10(2)15(17-11(3)12(4)18-5)13-6-8-14(16)9-7-13/h6-12,15,17H,1-5H3
InChIKeyDVRHDOZROMJYQC-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-1-(4-fluorophenyl)-2-methylpropan-1-amine
CID 43685470
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 81353330
N-[1-(4-chlorophenyl)-2-methylpropyl]heptan-4-amine
CID 43687596
1-(4-chlorophenyl)-N-(1-ethylsulfonylpropan-2-yl)-2-methylpropan-1-amine
CID 115898625
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43781909
1-(4-chlorophenyl)-2-methyl-N-[1-(3-methylpyrazin-2-yl)ethyl]propan-1-amine
CID 102612365
N-[1-(4-ethylphenyl)ethyl]-3-methoxybutan-2-amine
CID 115705865
N-[1-(furan-3-yl)ethyl]-3-methoxybutan-2-amine
CID 115894684
1-(4-chlorophenyl)-N-(cyclohexylmethyl)-2-methylpropan-1-amine
CID 43234095
1-(4-chlorophenyl)-2-methoxy-N-methyl-2-phenylethanamine
CID 116772626
N-[1-(5-chlorothiophen-2-yl)ethyl]-3-methoxybutan-2-amine
CID 115708442
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-methylpentan-2-amine
CID 81352829

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine (CID 113259992) is 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine is COC(C)C(C)NC(c1ccc(Cl)cc1)C(C)C.
What is the InChIKey of 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine?
The InChIKey is DVRHDOZROMJYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(2)15(17-11(3)12(4)18-5)13-6-8-14(16)9-7-13/h6-12,15,17H,1-5H3.
What are the key properties of 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine?
1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(3-methoxybutan-2-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 113259992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).