3-benzhydryloxy-N-propan-2-ylpropan-1-amine

C19H25NO — CID 163865412

IUPAC3-benzhydryloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)20-14-9-15-21-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3
InChIKeyKLAZUCHLMKOMIH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.18
Rot. Bonds8

About 3-benzhydryloxy-N-propan-2-ylpropan-1-amine

3-benzhydryloxy-N-propan-2-ylpropan-1-amine (PubChem CID 163865412) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-benzhydryloxy-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-benzhydryloxy-N-propan-2-ylpropan-1-amine
PubChem CID163865412
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-benzhydryloxy-N-propan-2-ylpropan-1-amine
SMILESCC(C)NCCCOC(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)20-14-9-15-21-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3
InChIKeyKLAZUCHLMKOMIH-UHFFFAOYSA-N
XLogP4.18
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[phenyl-(2,4,6-trimethylphenyl)methoxy]-N-propan-2-ylpropan-1-amine
CID 15945524
N-(3-benzhydryloxypropyl)-3-phenylpropan-1-amine
CID 86174020
3-benzhydryloxypropylbenzene
CID 11255103
N'-(2-benzhydryloxyethyl)ethane-1,2-diamine
CID 57024547
1-N-(2-benzhydryloxyethyl)pentane-1,4-diamine
CID 57070167
(2R)-1-(2-benzhydryloxyethylamino)propan-2-ol
CID 97355382
3-(4-phenylmethoxyphenoxy)-N-propan-2-ylpropan-1-amine
CID 13338480
N-[2-(3-methoxypropoxy)-2-phenylethyl]propan-2-amine
CID 62107338
3-(2-phenylphenoxy)-N-propan-2-ylpropan-1-amine
CID 29016000
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
[3-methylpentoxy(phenyl)methyl]benzene
CID 123899731
1-phenylethyl 4-(propan-2-ylamino)butanoate
CID 61278056

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryloxy-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-benzhydryloxy-N-propan-2-ylpropan-1-amine (CID 163865412) is 3-benzhydryloxy-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-benzhydryloxy-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-benzhydryloxy-N-propan-2-ylpropan-1-amine is CC(C)NCCCOC(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-benzhydryloxy-N-propan-2-ylpropan-1-amine?
The InChIKey is KLAZUCHLMKOMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)20-14-9-15-21-19(17-10-5-3-6-11-17)18-12-7-4-8-13-18/h3-8,10-13,16,19-20H,9,14-15H2,1-2H3.
What are the key properties of 3-benzhydryloxy-N-propan-2-ylpropan-1-amine?
3-benzhydryloxy-N-propan-2-ylpropan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.18, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryloxy-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 163865412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).