N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine

C18H31N — CID 55193146

IUPACN-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-8-18(7-2)19-15(5)17-11-9-16(10-12-17)13-14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyZOSQRRCCPRUVLR-UHFFFAOYSA-N
MW261.45 g/mol
LogP5.11
Rot. Bonds8

About N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine

N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine (PubChem CID 55193146) has the molecular formula C18H31N and a molecular weight of 261.45 g/mol. Its IUPAC name is N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine.

Molecular Properties

Compound NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
PubChem CID55193146
Molecular FormulaC18H31N
Molecular Weight261.45 g/mol
Exact Mass261.25
IUPAC NameN-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine
SMILESCCCC(CC)NC(C)c1ccc(CC(C)C)cc1
InChIInChI=1S/C18H31N/c1-6-8-18(7-2)19-15(5)17-11-9-16(10-12-17)13-14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3
InChIKeyZOSQRRCCPRUVLR-UHFFFAOYSA-N
XLogP5.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.45
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(4-bromophenyl)ethyl]hexan-3-amine
CID 63476564
(2R)-2-[1-(4-propylphenyl)ethylamino]butan-1-ol
CID 113352326
N-[(1S)-1-(4-chlorophenyl)ethyl]heptan-3-amine
CID 81352954
N-[1-(3-methylphenyl)ethyl]hexan-3-amine
CID 62119474
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-1-methylsulfinylpropan-2-amine
CID 104537498
2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-N-propylpropanamide
CID 43226762
N-[(1R)-1-pyridin-4-ylethyl]heptan-4-amine
CID 28644656
(2R)-2-amino-N-[1-[4-(2-methylpropyl)phenyl]ethyl]pentanamide
CID 103793979
3-[[1-[4-(2-methylpropyl)phenyl]ethylamino]methyl]hexan-1-ol
CID 106114426
N-[1-(3-bromophenyl)ethyl]hexan-3-amine
CID 63477251
N-[(1S)-1-(4-bromophenyl)ethyl]-1-phenylbutan-2-amine
CID 81354706
(2R)-2-[1-(4-butylphenyl)ethylamino]butan-1-ol
CID 103922455

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine?
The IUPAC name of N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine (CID 55193146) is N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine.
What is the SMILES notation for N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine?
The canonical SMILES for N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine is CCCC(CC)NC(C)c1ccc(CC(C)C)cc1.
What is the InChIKey of N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine?
The InChIKey is ZOSQRRCCPRUVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N/c1-6-8-18(7-2)19-15(5)17-11-9-16(10-12-17)13-14(3)4/h9-12,14-15,18-19H,6-8,13H2,1-5H3.
What are the key properties of N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine?
N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine has a molecular weight of 261.45 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylpropyl)phenyl]ethyl]hexan-3-amine is sourced from PubChem (CID 55193146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).