1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine

C17H28ClN — CID 63412958

IUPAC1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-5-12-19-16(10-11-17(2,3)4)13-14-6-8-15(18)9-7-14/h6-9,16,19H,5,10-13H2,1-4H3
InChIKeyCENYSBKHYXMTNE-UHFFFAOYSA-N
MW281.87 g/mol
LogP5.08
Rot. Bonds7

About 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine

1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine (PubChem CID 63412958) has the molecular formula C17H28ClN and a molecular weight of 281.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
PubChem CID63412958
Molecular FormulaC17H28ClN
Molecular Weight281.87 g/mol
Exact Mass281.19
IUPAC Name1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
SMILESCCCNC(CCC(C)(C)C)Cc1ccc(Cl)cc1
InChIInChI=1S/C17H28ClN/c1-5-12-19-16(10-11-17(2,3)4)13-14-6-8-15(18)9-7-14/h6-9,16,19H,5,10-13H2,1-4H3
InChIKeyCENYSBKHYXMTNE-UHFFFAOYSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

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

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Related Compounds

1-(3-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine
CID 55187933
1-(4-chlorophenyl)-N-propyldecan-2-amine
CID 63413044
4-(4-chlorophenyl)-1-N,1-N-diethyl-3-N-propylbutane-1,3-diamine
CID 79093417
1-(4-chlorophenyl)-5-methoxy-N-propylpentan-2-amine
CID 62601304
2,2,8,8-tetramethyl-N-propylnonan-5-amine
CID 173351827
5,5,5-trifluoro-1-(4-fluorophenyl)-N-propylpentan-2-amine
CID 64564942
1-(4-chlorophenyl)-N,6,6-trimethylheptan-2-amine
CID 114209914
1-(3,4-difluorophenyl)-N-ethyl-5,5-dimethylhexan-2-amine
CID 115849967
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898
4,4-dimethyl-1-(4-propan-2-ylphenyl)-N-propylpentan-2-amine
CID 63889827
1-(4-chlorophenyl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 62502526
N-[2-(4-chlorophenyl)ethyl]-5,5-dimethylhexan-2-amine
CID 114279894

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine (CID 63412958) is 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine is CCCNC(CCC(C)(C)C)Cc1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
The InChIKey is CENYSBKHYXMTNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28ClN/c1-5-12-19-16(10-11-17(2,3)4)13-14-6-8-15(18)9-7-14/h6-9,16,19H,5,10-13H2,1-4H3.
What are the key properties of 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine?
1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine has a molecular weight of 281.87 g/mol, XLogP of 5.08, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-5,5-dimethyl-N-propylhexan-2-amine is sourced from PubChem (CID 63412958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).