1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine

C15H24ClNO — CID 55015060

IUPAC1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine
SMILESCC(C)CC(C)OC(c1ccc(Cl)cc1)C(C)N
InChIInChI=1S/C15H24ClNO/c1-10(2)9-11(3)18-15(12(4)17)13-5-7-14(16)8-6-13/h5-8,10-12,15H,9,17H2,1-4H3
InChIKeyBPFQAWMKPOTHOE-UHFFFAOYSA-N
MW269.82 g/mol
LogP4.18
Rot. Bonds6

About 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine

1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine (PubChem CID 55015060) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine
PubChem CID55015060
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine
SMILESCC(C)CC(C)OC(c1ccc(Cl)cc1)C(C)N
InChIInChI=1S/C15H24ClNO/c1-10(2)9-11(3)18-15(12(4)17)13-5-7-14(16)8-6-13/h5-8,10-12,15H,9,17H2,1-4H3
InChIKeyBPFQAWMKPOTHOE-UHFFFAOYSA-N
XLogP4.18
TPSA35.25 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 ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-methoxypropan-2-amine
CID 54594037
1-chloro-4-(2,5-dimethylhexan-3-yl)benzene
CID 123685686
1-(4-chlorophenyl)-1-cyclohexyloxypropan-2-amine
CID 55015439
[1-(4-chlorophenyl)-3-methylbutyl]hydrazine
CID 105193198
2-amino-N-[(1S)-1-(4-chlorophenyl)ethyl]-4-methylpentanamide
CID 81354853
O-[1-amino-1-(4-chlorophenyl)propan-2-yl]hydroxylamine
CID 126599884
1-(4-chlorophenyl)-1-(3-fluoro-4-methylphenoxy)propan-2-amine
CID 107168655
1-(4-chlorophenyl)-1-(2-fluoro-3-methylphenoxy)propan-2-amine
CID 107656348
[(2R,4R)-4-(4-chlorophenyl)pentan-2-yl] formate
CID 142840615
N-[1-(4-chlorophenyl)ethyl]-2,6-dimethylheptan-4-amine
CID 43111783
1-[2-[1-(4-chlorophenyl)ethyl]phenyl]ethanamine
CID 143284996
[(1S)-1-(4-chlorophenyl)ethyl] carbamate
CID 174363782

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine (CID 55015060) is 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine is CC(C)CC(C)OC(c1ccc(Cl)cc1)C(C)N.
What is the InChIKey of 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine?
The InChIKey is BPFQAWMKPOTHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-10(2)9-11(3)18-15(12(4)17)13-5-7-14(16)8-6-13/h5-8,10-12,15H,9,17H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine?
1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine has a molecular weight of 269.82 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(4-methylpentan-2-yloxy)propan-2-amine is sourced from PubChem (CID 55015060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).