4-[benzyl(propyl)amino]butan-1-ol

C14H23NO — CID 130822527

IUPAC4-[benzyl(propyl)amino]butan-1-ol
SMILESCCCN(CCCCO)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3
InChIKeyTZYXOCPSQPNSEK-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.67
Rot. Bonds8

About 4-[benzyl(propyl)amino]butan-1-ol

4-[benzyl(propyl)amino]butan-1-ol (PubChem CID 130822527) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[benzyl(propyl)amino]butan-1-ol.

Molecular Properties

Compound Name4-[benzyl(propyl)amino]butan-1-ol
PubChem CID130822527
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[benzyl(propyl)amino]butan-1-ol
SMILESCCCN(CCCCO)Cc1ccccc1
InChIInChI=1S/C14H23NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3
InChIKeyTZYXOCPSQPNSEK-UHFFFAOYSA-N
XLogP2.67
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.67
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-benzyl-N-propylhexan-1-amine
CID 123983090
N-benzyl-N-propylbutan-1-amine;ethane
CID 143530424
2-[benzyl(nonyl)amino]ethanol
CID 63469962
5-[2-aminoethyl(benzyl)amino]pentan-1-ol
CID 62229179
N,N-dibenzylpropan-1-amine
CID 10840212
N,N-dibenzyldodecan-1-amine
CID 11508874
4-[benzyl-[2-(2-methoxyethoxy)ethyl]amino]butan-1-ol
CID 122198142
N-benzyl-N-methyl-N',N'-dipropylbutane-1,4-diamine
CID 141125975
2-[benzyl(4-phenylbutyl)amino]ethanol
CID 114334509
N-benzyl-N-(2-bromoethyl)pentan-1-amine
CID 80679687
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
N-benzyl-N-(4-bromobutyl)octadecan-1-amine
CID 173422104

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(propyl)amino]butan-1-ol?
The IUPAC name of 4-[benzyl(propyl)amino]butan-1-ol (CID 130822527) is 4-[benzyl(propyl)amino]butan-1-ol.
What is the SMILES notation for 4-[benzyl(propyl)amino]butan-1-ol?
The canonical SMILES for 4-[benzyl(propyl)amino]butan-1-ol is CCCN(CCCCO)Cc1ccccc1.
What is the InChIKey of 4-[benzyl(propyl)amino]butan-1-ol?
The InChIKey is TZYXOCPSQPNSEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-10-15(11-6-7-12-16)13-14-8-4-3-5-9-14/h3-5,8-9,16H,2,6-7,10-13H2,1H3.
What are the key properties of 4-[benzyl(propyl)amino]butan-1-ol?
4-[benzyl(propyl)amino]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(propyl)amino]butan-1-ol is sourced from PubChem (CID 130822527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).