2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine

C20H27NO — CID 17210985

IUPAC2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C20H27NO/c1-5-20(3,4)21-14-18-7-6-8-19(13-18)22-15-17-11-9-16(2)10-12-17/h6-13,21H,5,14-15H2,1-4H3
InChIKeyWFYFRKOXZAJIPS-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.85
Rot. Bonds7

About 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine

2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine (PubChem CID 17210985) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
PubChem CID17210985
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
SMILESCCC(C)(C)NCc1cccc(OCc2ccc(C)cc2)c1
InChIInChI=1S/C20H27NO/c1-5-20(3,4)21-14-18-7-6-8-19(13-18)22-15-17-11-9-16(2)10-12-17/h6-13,21H,5,14-15H2,1-4H3
InChIKeyWFYFRKOXZAJIPS-UHFFFAOYSA-N
XLogP4.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(3-phenylmethoxyphenyl)methyl]butan-2-amine;hydrochloride
CID 17210800
2-methyl-N-[(3-phenylmethoxyphenyl)methyl]propan-2-amine
CID 4721452
2-[[3-[(4-fluorophenyl)methoxy]phenyl]methylamino]-2-methylpropan-1-ol
CID 4715475
4-ethoxy-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126128892
(2S)-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine
CID 29186893
N-[[3-[(4-chlorophenyl)methoxy]phenyl]methyl]-4-methylaniline
CID 23795626
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine
CID 17055072
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopropanamine;hydrochloride
CID 6471253
3-chloro-2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]aniline
CID 126127986
(2S)-2-[[3-[(4-methylphenyl)methoxy]phenyl]methylamino]butan-1-ol
CID 40638934
N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]-2-phenylethanamine;hydrochloride
CID 17055075
N',N'-dimethyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]ethane-1,2-diamine
CID 17055135

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The IUPAC name of 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine (CID 17210985) is 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine is CCC(C)(C)NCc1cccc(OCc2ccc(C)cc2)c1.
What is the InChIKey of 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
The InChIKey is WFYFRKOXZAJIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-5-20(3,4)21-14-18-7-6-8-19(13-18)22-15-17-11-9-16(2)10-12-17/h6-13,21H,5,14-15H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine?
2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine has a molecular weight of 297.44 g/mol, XLogP of 4.85, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-[(4-methylphenyl)methoxy]phenyl]methyl]butan-2-amine is sourced from PubChem (CID 17210985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).