4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol

C14H23NO — CID 129034055

IUPAC4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
SMILESCCN(CCCCO)[C@H](C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-15(11-7-8-12-16)13(2)14-9-5-4-6-10-14/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyIGFYVQBBTCNLGV-CYBMUJFWSA-N
MW221.34 g/mol
LogP2.84
Rot. Bonds7

About 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol

4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol (PubChem CID 129034055) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
PubChem CID129034055
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol
SMILESCCN(CCCCO)[C@H](C)c1ccccc1
InChIInChI=1S/C14H23NO/c1-3-15(11-7-8-12-16)13(2)14-9-5-4-6-10-14/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3/t13-/m1/s1
InChIKeyIGFYVQBBTCNLGV-CYBMUJFWSA-N
XLogP2.84
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.84
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

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CID 131843300
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
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N,N-diethyl-1-phenylethanamine;nitroxyl
CID 144554786
2-[pentyl(1-phenylethyl)amino]acetic acid
CID 70551743
3-[benzhydryl(butyl)amino]propan-1-ol
CID 56583759
3-[benzyl-(2-methyl-1-phenylpropyl)amino]propan-1-ol
CID 14596217
2-[methanidyl(1-phenylethyl)amino]ethanol
CID 123296934
3-[1-[3-(dimethylamino)propyl-ethylamino]ethyl]phenol
CID 103734415
(1S,2S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 14112556
(1S)-2-(dibutylamino)-1-phenylpropan-1-ol
CID 70156546
3-[[2-(diethylamino)-2-phenylethyl]amino]propan-1-ol
CID 54940285
N'-butan-2-yl-N'-ethyl-1-phenylbutane-1,4-diamine
CID 63321755

Frequently Asked Questions

What is the IUPAC name of 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol?
The IUPAC name of 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol (CID 129034055) is 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol.
What is the SMILES notation for 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol?
The canonical SMILES for 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol is CCN(CCCCO)[C@H](C)c1ccccc1.
What is the InChIKey of 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol?
The InChIKey is IGFYVQBBTCNLGV-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-15(11-7-8-12-16)13(2)14-9-5-4-6-10-14/h4-6,9-10,13,16H,3,7-8,11-12H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol?
4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethyl-[(1R)-1-phenylethyl]amino]butan-1-ol is sourced from PubChem (CID 129034055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).