2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine

C15H24ClNO — CID 55135216

IUPAC2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
SMILESCOCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-12(2)17-11-14(8-9-18-3)10-13-4-6-15(16)7-5-13/h4-7,12,14,17H,8-11H2,1-3H3
InChIKeyGVNGEFFHAOWHPU-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.53
Rot. Bonds8

About 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine

2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine (PubChem CID 55135216) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
PubChem CID55135216
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC Name2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
SMILESCOCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H24ClNO/c1-12(2)17-11-14(8-9-18-3)10-13-4-6-15(16)7-5-13/h4-7,12,14,17H,8-11H2,1-3H3
InChIKeyGVNGEFFHAOWHPU-UHFFFAOYSA-N
XLogP3.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
CID 63520826
2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-3-trimethylsilylpropan-1-amine
CID 106323200
2-[(4-chlorophenyl)methyl]-N-propan-2-yl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617633
2-[(4-chlorophenyl)methyl]-N-ethyl-5-methoxypentan-1-amine
CID 55083300
2-[(4-chlorophenyl)methyl]-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 103984648
N-[2-[(4-chlorophenyl)methyl]-5-methoxypentyl]cyclopropanamine
CID 62515917
2-[(4-bromophenyl)methyl]-4-methoxy-N-methylbutan-1-amine
CID 62514878
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456688

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine (CID 55135216) is 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine is COCCC(CNC(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine?
The InChIKey is GVNGEFFHAOWHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-12(2)17-11-14(8-9-18-3)10-13-4-6-15(16)7-5-13/h4-7,12,14,17H,8-11H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine?
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.53, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 55135216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).