4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol

C18H31NO — CID 103921676

IUPAC4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CC(NCC(C)(C)CCO)c1ccccc1
InChIInChI=1S/C18H31NO/c1-17(2,3)13-16(15-9-7-6-8-10-15)19-14-18(4,5)11-12-20/h6-10,16,19-20H,11-14H2,1-5H3
InChIKeyNOXBMVFGTFHYJA-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.16
Rot. Bonds7

About 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol

4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 103921676) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
PubChem CID103921676
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(C)CC(NCC(C)(C)CCO)c1ccccc1
InChIInChI=1S/C18H31NO/c1-17(2,3)13-16(15-9-7-6-8-10-15)19-14-18(4,5)11-12-20/h6-10,16,19-20H,11-14H2,1-5H3
InChIKeyNOXBMVFGTFHYJA-UHFFFAOYSA-N
XLogP4.16
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclopropyl]methanol
CID 115454441
4-[1-(4-ethylphenyl)propylamino]-3,3-dimethylbutan-1-ol
CID 103787569
4-[[(4-methoxyphenyl)-phenylmethyl]amino]-3,3-dimethylbutan-1-ol
CID 110010974
4-[[cyclohexyl(phenyl)methyl]amino]-3,3-dimethylbutan-1-ol
CID 103917609
4-methoxy-2,2-dimethyl-N-(1-phenylpropyl)butan-1-amine
CID 104624237
3,3-dimethyl-4-(3-phenylbutylamino)butan-1-ol
CID 107095044
4,4-dimethyl-5-[(2-methyl-1-phenylpropyl)amino]pentan-1-ol
CID 103911194
N-(2,2-dimethylpropyl)-N',N'-dimethyl-1-phenylethane-1,2-diamine
CID 61324922
4-methoxy-2,2-dimethyl-N-(1-phenylbutyl)butan-1-amine
CID 104628715
2-[(3,3-dimethyl-1-phenylbutyl)amino]-N-ethylacetamide
CID 43777761
N-(4-hydroxy-2,2-dimethylbutyl)-2-phenylbutanamide
CID 103772501
4-[[(3,3-dimethyl-1-phenylbutyl)amino]methyl]cyclohexan-1-ol
CID 106125736

Frequently Asked Questions

What is the IUPAC name of 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol (CID 103921676) is 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol is CC(C)(C)CC(NCC(C)(C)CCO)c1ccccc1.
What is the InChIKey of 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is NOXBMVFGTFHYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-17(2,3)13-16(15-9-7-6-8-10-15)19-14-18(4,5)11-12-20/h6-10,16,19-20H,11-14H2,1-5H3.
What are the key properties of 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol?
4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 277.45 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,3-dimethyl-1-phenylbutyl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 103921676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).