N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine

C20H27NO — CID 54848917

IUPACN-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(C)Oc1ccccc1CNC(CC)c1ccccc1
InChIInChI=1S/C20H27NO/c1-4-16(3)22-20-14-10-9-13-18(20)15-21-19(5-2)17-11-7-6-8-12-17/h6-14,16,19,21H,4-5,15H2,1-3H3
InChIKeyKPCMAIDHKXWOEY-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.10
Rot. Bonds8

About N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine

N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine (PubChem CID 54848917) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
PubChem CID54848917
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC NameN-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine
SMILESCCC(C)Oc1ccccc1CNC(CC)c1ccccc1
InChIInChI=1S/C20H27NO/c1-4-16(3)22-20-14-10-9-13-18(20)15-21-19(5-2)17-11-7-6-8-12-17/h6-14,16,19,21H,4-5,15H2,1-3H3
InChIKeyKPCMAIDHKXWOEY-UHFFFAOYSA-N
XLogP5.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-N-[(2-prop-2-ynoxyphenyl)methyl]propan-1-amine
CID 62048226
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]ethanamine
CID 92983672
2-[(1-phenylpropylamino)methyl]phenol
CID 62305715
1-butan-2-yloxy-2-ethylbenzene
CID 64763289
2-[(1-phenylpropylamino)methyl]aniline
CID 66418456
1-(4-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43234899
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-phenylpropan-1-amine
CID 43203759
N-[[3-methoxy-2-(3-methylbutoxy)phenyl]methyl]-1-phenylpropan-1-amine
CID 54848699
1-phenyl-1-phosphanyl-N-[(2-propan-2-yloxyphenyl)methyl]methanamine
CID 176995355
3-ethyl-N-[(2-propan-2-yloxyphenyl)methyl]pentan-2-amine
CID 55259412
1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43673993
N-[(2,5-dimethoxyphenyl)methyl]-1-phenylpropan-1-amine
CID 62050261

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine?
The IUPAC name of N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine (CID 54848917) is N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine.
What is the SMILES notation for N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine?
The canonical SMILES for N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine is CCC(C)Oc1ccccc1CNC(CC)c1ccccc1.
What is the InChIKey of N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine?
The InChIKey is KPCMAIDHKXWOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-4-16(3)22-20-14-10-9-13-18(20)15-21-19(5-2)17-11-7-6-8-12-17/h6-14,16,19,21H,4-5,15H2,1-3H3.
What are the key properties of N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine?
N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 5.10, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-yloxyphenyl)methyl]-1-phenylpropan-1-amine is sourced from PubChem (CID 54848917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).