4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol

C17H29NO — CID 103729747

IUPAC4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
SMILESCC(CCc1ccccc1)NCC(O)CC(C)(C)C
InChIInChI=1S/C17H29NO/c1-14(10-11-15-8-6-5-7-9-15)18-13-16(19)12-17(2,3)4/h5-9,14,16,18-19H,10-13H2,1-4H3
InChIKeyDNAZVBRNDJCDKC-UHFFFAOYSA-N
MW263.42 g/mol
LogP3.39
Rot. Bonds7

About 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol

4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol (PubChem CID 103729747) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol.

Molecular Properties

Compound Name4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
PubChem CID103729747
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
SMILESCC(CCc1ccccc1)NCC(O)CC(C)(C)C
InChIInChI=1S/C17H29NO/c1-14(10-11-15-8-6-5-7-9-15)18-13-16(19)12-17(2,3)4/h5-9,14,16,18-19H,10-13H2,1-4H3
InChIKeyDNAZVBRNDJCDKC-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(diethylamino)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 60710732
4,4-dimethyl-1-(1-phenylethylamino)pentan-2-ol
CID 103717042
2-methyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 65037471
N-(2-hydroxy-4,4-dimethylpentyl)-2-phenylethanesulfonamide
CID 103697673
1-[1-(2-fluorophenyl)propan-2-ylamino]-4,4-dimethylpentan-2-ol
CID 102612767
2,2-dimethyl-8-phenyloctan-4-ol
CID 164840740
4,4-dimethyl-1-[(2-methyl-1-phenylpropyl)amino]pentan-2-ol
CID 103910841
2,2-dimethyl-3-(4-phenylbutan-2-ylamino)propan-1-ol
CID 81413862
4-[1-hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]phenol
CID 11565452
2-methyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol
CID 103729692
1-(3,5-dimethylphenoxy)-3-(4-phenylbutan-2-ylamino)propan-2-ol
CID 158624002
tert-butyl N-[1-(4-phenylbutan-2-ylamino)propan-2-yl]carbamate
CID 107247631

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
The IUPAC name of 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol (CID 103729747) is 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol.
What is the SMILES notation for 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
The canonical SMILES for 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol is CC(CCc1ccccc1)NCC(O)CC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
The InChIKey is DNAZVBRNDJCDKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-14(10-11-15-8-6-5-7-9-15)18-13-16(19)12-17(2,3)4/h5-9,14,16,18-19H,10-13H2,1-4H3.
What are the key properties of 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol?
4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol has a molecular weight of 263.42 g/mol, XLogP of 3.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-1-(4-phenylbutan-2-ylamino)pentan-2-ol is sourced from PubChem (CID 103729747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).