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

C17H28ClN — CID 63520826

IUPAC2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
SMILESCCCCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-4-5-6-7-16(13-19-14(2)3)12-15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyODZWCWBRDJTOOI-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.08
Rot. Bonds9

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

2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine (PubChem CID 63520826) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
PubChem CID63520826
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine
SMILESCCCCCC(CNC(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-4-5-6-7-16(13-19-14(2)3)12-15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3
InChIKeyODZWCWBRDJTOOI-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.87
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)methyl]-N-propan-2-ylnonan-1-amine
CID 63523502
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324
2-[(4-chlorophenyl)methyl]-6-methoxy-N-propan-2-ylhexan-1-amine
CID 104649208
2-[(4-bromophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 63522974
2-benzyl-N-propan-2-ylhexan-1-amine
CID 62528462
2-[(4-chlorophenyl)methyl]-4-ethylsulfonyl-N-propan-2-ylbutan-1-amine
CID 62515746
2-[(4-chlorophenyl)methyl]-4-methoxy-N-propan-2-ylbutan-1-amine
CID 55135216
1-chloro-4-[2-(chloromethyl)octyl]benzene
CID 66034614
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)-N-propan-2-yloctan-1-amine
CID 79438008
2-[(2-chlorophenyl)methyl]-N-propan-2-ylhexan-1-amine
CID 55196988

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine (CID 63520826) is 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine is CCCCCC(CNC(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine?
The InChIKey is ODZWCWBRDJTOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-4-5-6-7-16(13-19-14(2)3)12-15-8-10-17(18)11-9-15/h8-11,14,16,19H,4-7,12-13H2,1-3H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine?
2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine has a molecular weight of 281.87 g/mol, XLogP of 5.08, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 63520826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).