2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine

C17H28ClN — CID 63523534

IUPAC2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)CCC(CNC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-13(2)8-9-16(12-19-14(3)4)10-15-6-5-7-17(18)11-15/h5-7,11,13-14,16,19H,8-10,12H2,1-4H3
InChIKeyJVKPJZWXAZSXEN-UHFFFAOYSA-N
MW281.87 g/mol
LogP4.93
Rot. Bonds8

About 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine

2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine (PubChem CID 63523534) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
PubChem CID63523534
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine
SMILESCC(C)CCC(CNC(C)C)Cc1cccc(Cl)c1
InChIInChI=1S/C17H28ClN/c1-13(2)8-9-16(12-19-14(3)4)10-15-6-5-7-17(18)11-15/h5-7,11,13-14,16,19H,8-10,12H2,1-4H3
InChIKeyJVKPJZWXAZSXEN-UHFFFAOYSA-N
XLogP4.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.87
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(3-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529325
2-[(3-chlorophenyl)methyl]-5-methyl-N-(2-methylpropyl)hexan-1-amine
CID 63522996
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propan-2-ylbutan-1-amine
CID 106456688
2-[(3-chlorophenyl)methyl]-4-(oxolan-2-yl)-N-propan-2-ylbutan-1-amine
CID 65166180
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 64665001
2-[(3-chlorophenyl)methyl]-N,5,5-trimethylhexan-1-amine
CID 63522633
N-[(3-chlorophenyl)methyl]-3-methylbutan-1-amine;hydrochloride
CID 17206859
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(3-chlorophenyl)methyl]-4-(3-methylbutoxy)butan-1-ol
CID 66058445
2-[(3-chlorophenyl)methyl]-3-methoxy-N-(2-methylpropyl)propan-1-amine
CID 103984352
2-[(3-chlorophenyl)methyl]-4-(2-methylpropoxy)-N-propylbutan-1-amine
CID 106456686
2-benzyl-3-(3-methylphenyl)-N-propan-2-ylpropan-1-amine
CID 63496188

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine?
The IUPAC name of 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine (CID 63523534) is 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine?
The canonical SMILES for 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine is CC(C)CCC(CNC(C)C)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine?
The InChIKey is JVKPJZWXAZSXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-13(2)8-9-16(12-19-14(3)4)10-15-6-5-7-17(18)11-15/h5-7,11,13-14,16,19H,8-10,12H2,1-4H3.
What are the key properties of 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine?
2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 4.93, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl]-5-methyl-N-propan-2-ylhexan-1-amine is sourced from PubChem (CID 63523534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).