1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine

C19H33NO — CID 106007749

IUPAC1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
SMILESCCCCCC(NCCCCOC(C)C)c1ccccc1
InChIInChI=1S/C19H33NO/c1-4-5-7-14-19(18-12-8-6-9-13-18)20-15-10-11-16-21-17(2)3/h6,8-9,12-13,17,19-20H,4-5,7,10-11,14-16H2,1-3H3
InChIKeyHBINCPYFTOEQJT-UHFFFAOYSA-N
MW291.48 g/mol
LogP5.10
Rot. Bonds12

About 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine

1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine (PubChem CID 106007749) has the molecular formula C19H33NO and a molecular weight of 291.48 g/mol. Its IUPAC name is 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine.

Molecular Properties

Compound Name1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
PubChem CID106007749
Molecular FormulaC19H33NO
Molecular Weight291.48 g/mol
Exact Mass291.26
IUPAC Name1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine
SMILESCCCCCC(NCCCCOC(C)C)c1ccccc1
InChIInChI=1S/C19H33NO/c1-4-5-7-14-19(18-12-8-6-9-13-18)20-15-10-11-16-21-17(2)3/h6,8-9,12-13,17,19-20H,4-5,7,10-11,14-16H2,1-3H3
InChIKeyHBINCPYFTOEQJT-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.48
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-pentyl-1-phenyldecan-1-amine
CID 10380274
N-(1-phenylpentyl)heptan-1-amine
CID 10084030
N-(2-butoxyethyl)-1-phenylhexan-1-amine
CID 63452751
4-(1-phenylhexylamino)butan-2-ol
CID 64910713
5-methyl-N-(1-phenylbutyl)hexan-1-amine
CID 115324964
N'-(2-methoxyethyl)-N'-methyl-N-(1-phenylhexyl)ethane-1,2-diamine
CID 62844664
N-dodecyl-1-phenylethane-1,2-diamine
CID 146442827
N-butyl-1-[4-[2-[4-[1-(butylamino)hexyl]phenoxy]ethoxy]phenyl]hexan-1-amine
CID 44531492
1-dodecoxyhexylbenzene
CID 174774790
3-(1-phenylhexylamino)-N-propan-2-ylpropanamide
CID 115709150
2-phenyl-2-(2-propan-2-yloxyethylamino)ethanol
CID 63183006
N-(1-phenylpentyl)octan-2-amine
CID 43791089

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine?
The IUPAC name of 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine (CID 106007749) is 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine.
What is the SMILES notation for 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine?
The canonical SMILES for 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine is CCCCCC(NCCCCOC(C)C)c1ccccc1.
What is the InChIKey of 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine?
The InChIKey is HBINCPYFTOEQJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO/c1-4-5-7-14-19(18-12-8-6-9-13-18)20-15-10-11-16-21-17(2)3/h6,8-9,12-13,17,19-20H,4-5,7,10-11,14-16H2,1-3H3.
What are the key properties of 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine?
1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine has a molecular weight of 291.48 g/mol, XLogP of 5.10, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(4-propan-2-yloxybutyl)hexan-1-amine is sourced from PubChem (CID 106007749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).