4-(methylamino)-4-(4-phenylphenyl)butan-1-ol

C17H21NO — CID 116952947

IUPAC4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
SMILESCNC(CCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-18-17(8-5-13-19)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-19H,5,8,13H2,1H3
InChIKeyNCOXEWQUAGUTTF-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.39
Rot. Bonds6

About 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol

4-(methylamino)-4-(4-phenylphenyl)butan-1-ol (PubChem CID 116952947) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol.

Molecular Properties

Compound Name4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
PubChem CID116952947
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name4-(methylamino)-4-(4-phenylphenyl)butan-1-ol
SMILESCNC(CCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H21NO/c1-18-17(8-5-13-19)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-19H,5,8,13H2,1H3
InChIKeyNCOXEWQUAGUTTF-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(methylamino)-3-(4-phenylphenyl)propan-1-ol
CID 64813021
(1S)-N-methyl-1-phenylpentan-1-amine
CID 86314170
3-[[2-amino-1-(4-phenylphenyl)ethyl]amino]propan-1-ol
CID 65377405
3-(dimethylamino)-3-(4-phenylphenyl)propan-1-ol
CID 116907655
4-(methylamino)-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-1-ol
CID 116952908
3-(4-bromophenyl)-3-(methylamino)propan-1-ol
CID 64814914
5-(ethylamino)-5-phenylpentan-1-ol
CID 134172288
N-methyl-5-methylidene-1-phenylheptan-1-amine
CID 66037848
N-methyl-1-(4-methylphenyl)hexan-1-amine
CID 43481744
2-butan-2-ylsulfanyl-N-methyl-1-(4-phenylphenyl)ethanamine
CID 64614449
[4-chloro-1-(4-phenylphenyl)butyl]hydrazine
CID 105235525
5-[4-hydroxy-1-(methylamino)butyl]-1,3-dihydroindol-2-one
CID 116952949

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol?
The IUPAC name of 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol (CID 116952947) is 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol.
What is the SMILES notation for 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol?
The canonical SMILES for 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol is CNC(CCCO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol?
The InChIKey is NCOXEWQUAGUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18-17(8-5-13-19)16-11-9-15(10-12-16)14-6-3-2-4-7-14/h2-4,6-7,9-12,17-19H,5,8,13H2,1H3.
What are the key properties of 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol?
4-(methylamino)-4-(4-phenylphenyl)butan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-4-(4-phenylphenyl)butan-1-ol is sourced from PubChem (CID 116952947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).