3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol

C17H21NO — CID 95464250

IUPAC3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
SMILESCN(Cc1ccccc1)c1ccc(CCCO)cc1
InChIInChI=1S/C17H21NO/c1-18(14-16-6-3-2-4-7-16)17-11-9-15(10-12-17)8-5-13-19/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3
InChIKeyZIDZNMXWYZNYAZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.25
Rot. Bonds6

About 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol

3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol (PubChem CID 95464250) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
PubChem CID95464250
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol
SMILESCN(Cc1ccccc1)c1ccc(CCCO)cc1
InChIInChI=1S/C17H21NO/c1-18(14-16-6-3-2-4-7-16)17-11-9-15(10-12-17)8-5-13-19/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3
InChIKeyZIDZNMXWYZNYAZ-UHFFFAOYSA-N
XLogP3.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[4-(N-methylanilino)phenyl]propan-1-ol
CID 95455161
3-[4-[benzyl(methyl)amino]phenyl]propanoic acid
CID 82305598
N-benzyl-N-methyl-4-phenylaniline
CID 23459365
N-methylmethanamine;3-phenylpropan-1-ol
CID 174893841
N-benzyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280663
3-[4-(diethylaminomethyl)phenyl]propan-1-ol
CID 117316981
aniline;N-benzyl-N-methylaniline
CID 163577424
4-N-methyl-4-N-(3-phenylpropyl)benzene-1,4-diamine
CID 28894846
N-benzyl-N-methyl-4-pyridin-4-ylaniline
CID 23466191
isocyanic acid;3-phenylpropan-1-ol
CID 174947619
cyanamide;3-phenylpropan-1-ol
CID 174483450
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423

Frequently Asked Questions

What is the IUPAC name of 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol?
The IUPAC name of 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol (CID 95464250) is 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol.
What is the SMILES notation for 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol?
The canonical SMILES for 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol is CN(Cc1ccccc1)c1ccc(CCCO)cc1.
What is the InChIKey of 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol?
The InChIKey is ZIDZNMXWYZNYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-18(14-16-6-3-2-4-7-16)17-11-9-15(10-12-17)8-5-13-19/h2-4,6-7,9-12,19H,5,8,13-14H2,1H3.
What are the key properties of 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol?
3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol has a molecular weight of 255.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[benzyl(methyl)amino]phenyl]propan-1-ol is sourced from PubChem (CID 95464250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).