3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine

C19H25NO — CID 63456005

IUPAC3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-4-15(2)16(3)20-14-17-9-8-12-19(13-17)21-18-10-6-5-7-11-18/h5-13,15-16,20H,4,14H2,1-3H3
InChIKeyZKRMZAQVUBXLCL-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.00
Rot. Bonds7

About 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine

3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine (PubChem CID 63456005) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
PubChem CID63456005
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine
SMILESCCC(C)C(C)NCc1cccc(Oc2ccccc2)c1
InChIInChI=1S/C19H25NO/c1-4-15(2)16(3)20-14-17-9-8-12-19(13-17)21-18-10-6-5-7-11-18/h5-13,15-16,20H,4,14H2,1-3H3
InChIKeyZKRMZAQVUBXLCL-UHFFFAOYSA-N
XLogP5.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.42
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-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

(2S,3S)-N-benzyl-3-methylpentan-2-amine
CID 28611874
(2R,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611865
(2S,3R)-N-benzyl-3-methylpentan-2-amine
CID 28611871
(2R)-2-[(3-phenoxyphenyl)methylamino]butan-1-ol
CID 28723157
1-N,1-N-dimethyl-2-N-[(3-phenoxyphenyl)methyl]propane-1,2-diamine
CID 82925202
3-methyl-N-(naphthalen-2-ylmethyl)pentan-2-amine
CID 54950144
N-[[3-(3-ethylphenoxy)phenyl]methyl]propan-2-amine
CID 63943086
(2S)-3-methyl-2-[(3-phenoxyphenyl)methylamino]butanoic acid
CID 120510625
1-(2-methylbutyl)-3-phenoxybenzene
CID 54097168
3-methyl-N-[(3-nitrophenyl)methyl]pentan-2-amine
CID 61463702
(2S)-2-[(3-phenoxyphenyl)methylamino]-3-phenylpropanoic acid
CID 99796479
(2S,3S)-3-methyl-N-(pyridin-3-ylmethyl)pentan-2-amine
CID 28672035

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine?
The IUPAC name of 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine (CID 63456005) is 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine.
What is the SMILES notation for 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine?
The canonical SMILES for 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine is CCC(C)C(C)NCc1cccc(Oc2ccccc2)c1.
What is the InChIKey of 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine?
The InChIKey is ZKRMZAQVUBXLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-15(2)16(3)20-14-17-9-8-12-19(13-17)21-18-10-6-5-7-11-18/h5-13,15-16,20H,4,14H2,1-3H3.
What are the key properties of 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine?
3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(3-phenoxyphenyl)methyl]pentan-2-amine is sourced from PubChem (CID 63456005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).