3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine

C19H25NO — CID 43220682

IUPAC3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCC(C)Oc1ccccc1CNCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)21-19-13-7-6-12-18(19)15-20-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16,20H,8,11,14-15H2,1-2H3
InChIKeyZLWYQOHMSIUKRI-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.20
Rot. Bonds8

About 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine

3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine (PubChem CID 43220682) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
PubChem CID43220682
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
SMILESCC(C)Oc1ccccc1CNCCCc1ccccc1
InChIInChI=1S/C19H25NO/c1-16(2)21-19-13-7-6-12-18(19)15-20-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16,20H,8,11,14-15H2,1-2H3
InChIKeyZLWYQOHMSIUKRI-UHFFFAOYSA-N
XLogP4.20
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 ≤ 54.20
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-fluoro-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 115733033
3-methylsulfonyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 54904730
2-methyl-5-[(2-propan-2-yloxyphenyl)methylamino]pentan-1-ol
CID 103859618
N-[(2-propan-2-yloxyphenyl)methyl]-3-pyrrolidin-1-ylpropan-1-amine
CID 43225581
5-[3-(benzylamino)propyl]-2-propan-2-yloxyaniline
CID 82153245
(2S)-1-[(2-propan-2-yloxyphenyl)methylamino]propan-2-ol
CID 51675528
2-piperidin-1-yl-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 60760080
2-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine
CID 43221119
2-methyl-N-[(2-propan-2-yloxyphenyl)methyl]prop-2-en-1-amine
CID 114615444
1-(3-bromophenyl)-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 61058373
(2S)-2-(2-ethylphenoxy)-N-(3-phenylpropyl)propanamide
CID 92685651
2-(1,2,4-oxadiazol-3-yl)-N-[(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 106396039

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The IUPAC name of 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine (CID 43220682) is 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine.
What is the SMILES notation for 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The canonical SMILES for 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine is CC(C)Oc1ccccc1CNCCCc1ccccc1.
What is the InChIKey of 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
The InChIKey is ZLWYQOHMSIUKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(2)21-19-13-7-6-12-18(19)15-20-14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16,20H,8,11,14-15H2,1-2H3.
What are the key properties of 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine?
3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 4.20, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[(2-propan-2-yloxyphenyl)methyl]propan-1-amine is sourced from PubChem (CID 43220682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).