2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol

C14H23NO — CID 65037471

IUPAC2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
SMILESCC(CO)CNC(C)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(11-16)10-15-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyYJKZBEURMFUILR-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.23
Rot. Bonds7

About 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol

2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol (PubChem CID 65037471) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
PubChem CID65037471
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
SMILESCC(CO)CNC(C)CCc1ccccc1
InChIInChI=1S/C14H23NO/c1-12(11-16)10-15-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3
InChIKeyYJKZBEURMFUILR-UHFFFAOYSA-N
XLogP2.23
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729747
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
2-N,2-N,3-trimethyl-1-N-(4-phenylbutan-2-yl)butane-1,2-diamine
CID 43107601
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
3-methyl-4-(1-phenylpropan-2-ylamino)butan-1-ol
CID 66090361
1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 60710732
(2R)-2-(4-phenylbutan-2-ylamino)butan-1-ol
CID 103922671
2-methyl-5-(3-phenylpropylamino)pentan-1-ol
CID 114151635
(4-phenylbutan-2-ylamino) thiohypofluorite
CID 138664614
2-[[(2S)-4-phenylbutan-2-yl]amino]-N-propan-2-ylacetamide
CID 93035071
4-[3-(2-methylpentylamino)butyl]phenol
CID 43746652
N-[(3,5-difluorophenyl)methyl]-4-phenylbutan-2-amine
CID 115623663

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
The IUPAC name of 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol (CID 65037471) is 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol.
What is the SMILES notation for 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
The canonical SMILES for 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol is CC(CO)CNC(C)CCc1ccccc1.
What is the InChIKey of 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
The InChIKey is YJKZBEURMFUILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-12(11-16)10-15-13(2)8-9-14-6-4-3-5-7-14/h3-7,12-13,15-16H,8-11H2,1-2H3.
What are the key properties of 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol?
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol has a molecular weight of 221.34 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol is sourced from PubChem (CID 65037471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).