6-phenyl-N-propylhexan-2-amine

C15H25N — CID 61485022

IUPAC6-phenyl-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCc1ccccc1
InChIInChI=1S/C15H25N/c1-3-13-16-14(2)9-7-8-12-15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3
InChIKeyXRZHBVYRUYSQTO-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.79
Rot. Bonds8

About 6-phenyl-N-propylhexan-2-amine

6-phenyl-N-propylhexan-2-amine (PubChem CID 61485022) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 6-phenyl-N-propylhexan-2-amine.

Molecular Properties

Compound Name6-phenyl-N-propylhexan-2-amine
PubChem CID61485022
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name6-phenyl-N-propylhexan-2-amine
SMILESCCCNC(C)CCCCc1ccccc1
InChIInChI=1S/C15H25N/c1-3-13-16-14(2)9-7-8-12-15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3
InChIKeyXRZHBVYRUYSQTO-UHFFFAOYSA-N
XLogP3.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.79
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

N-(4-phenylbutyl)hexan-2-amine
CID 114333315
1-N-methyl-1-N-(2-phenylethyl)-4-N-propylpentane-1,4-diamine
CID 65486070
5-methyl-N-(3-phenylpropyl)hexan-2-amine
CID 43082174
4-methoxy-N-(4-phenylbutyl)butan-2-amine
CID 115688342
(2R)-N-benzylheptan-2-amine
CID 14923313
5-(benzenesulfonyl)-N-propylpentan-2-amine
CID 62916866
1,1-dichloroethane;pentylbenzene
CID 158559289
5-methylheptylbenzene
CID 564254
1-methylsulfanyl-5-phenyl-N-propylpentan-2-amine
CID 62693417
5-methyl-N-(2-phenylethyl)hexan-2-amine
CID 43178595
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N-(4-phenylbutan-2-yl)octan-2-amine
CID 43130021

Frequently Asked Questions

What is the IUPAC name of 6-phenyl-N-propylhexan-2-amine?
The IUPAC name of 6-phenyl-N-propylhexan-2-amine (CID 61485022) is 6-phenyl-N-propylhexan-2-amine.
What is the SMILES notation for 6-phenyl-N-propylhexan-2-amine?
The canonical SMILES for 6-phenyl-N-propylhexan-2-amine is CCCNC(C)CCCCc1ccccc1.
What is the InChIKey of 6-phenyl-N-propylhexan-2-amine?
The InChIKey is XRZHBVYRUYSQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N/c1-3-13-16-14(2)9-7-8-12-15-10-5-4-6-11-15/h4-6,10-11,14,16H,3,7-9,12-13H2,1-2H3.
What are the key properties of 6-phenyl-N-propylhexan-2-amine?
6-phenyl-N-propylhexan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-N-propylhexan-2-amine is sourced from PubChem (CID 61485022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).