3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol

C14H23NO — CID 58405259

IUPAC3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-12(2)15(9-13(3)11-16)10-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyUGGWGZAUDDTTKC-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.53
Rot. Bonds6

About 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol

3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol (PubChem CID 58405259) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
PubChem CID58405259
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol
SMILESCC(CO)CN(Cc1ccccc1)C(C)C
InChIInChI=1S/C14H23NO/c1-12(2)15(9-13(3)11-16)10-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3
InChIKeyUGGWGZAUDDTTKC-UHFFFAOYSA-N
XLogP2.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-N-(2,2-dimethoxyethyl)propan-2-amine
CID 66222971
3-[benzyl(propan-2-yl)amino]-2-methylpropanethioamide
CID 43367666
(2S)-2-[benzyl(ethyl)amino]propan-1-ol
CID 14327251
(2R)-1-N-benzyl-1-N-propan-2-ylbutane-1,2-diamine
CID 130522033
N-[1-[benzyl(propan-2-yl)amino]propan-2-yl]-2-ethylbutanamide
CID 110284620
1-[benzyl(propan-2-yl)amino]-3-(2-methylpropoxy)propan-2-ol
CID 24713905
N-benzyl-N-(2-bromoethyl)propan-2-amine
CID 61289329
(2S)-2-(dibenzylamino)-4-methylpentan-1-ol;hydrobromide
CID 70098322
N'-benzyl-1-cyclopropyl-N'-propan-2-ylethane-1,2-diamine
CID 130758158
[(2S)-1-[benzyl(propan-2-yl)amino]-2-hydroxy-5-methylhexan-3-yl]carbamic acid
CID 70415964
(1S,2S)-2-(dibenzylamino)-1-phenylpropan-1-ol
CID 11484349
2-[(4-methylphenyl)methyl-propan-2-ylamino]-1-phenylethanol
CID 46007541

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol?
The IUPAC name of 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol (CID 58405259) is 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol.
What is the SMILES notation for 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol?
The canonical SMILES for 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol is CC(CO)CN(Cc1ccccc1)C(C)C.
What is the InChIKey of 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol?
The InChIKey is UGGWGZAUDDTTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(2)15(9-13(3)11-16)10-14-7-5-4-6-8-14/h4-8,12-13,16H,9-11H2,1-3H3.
What are the key properties of 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol?
3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(propan-2-yl)amino]-2-methylpropan-1-ol is sourced from PubChem (CID 58405259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).