N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine

C19H25NO — CID 19885180

IUPACN,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
SMILESCC(CCc1ccc(OCc2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H25NO/c1-16(20(2)3)9-10-17-11-13-19(14-12-17)21-15-18-7-5-4-6-8-18/h4-8,11-14,16H,9-10,15H2,1-3H3
InChIKeyWDJQNKZGAMHDPK-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.15
Rot. Bonds7

About N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine

N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine (PubChem CID 19885180) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
PubChem CID19885180
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine
SMILESCC(CCc1ccc(OCc2ccccc2)cc1)N(C)C
InChIInChI=1S/C19H25NO/c1-16(20(2)3)9-10-17-11-13-19(14-12-17)21-15-18-7-5-4-6-8-18/h4-8,11-14,16H,9-10,15H2,1-3H3
InChIKeyWDJQNKZGAMHDPK-UHFFFAOYSA-N
XLogP4.15
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dimethylpentyl)-4-phenylmethoxybenzene
CID 57147000
(2S)-4-(4-phenylmethoxyphenyl)butan-2-ol
CID 93002881
N,N-dimethyl-4-[4-(3-methylbutoxy)phenyl]butan-2-amine
CID 19885290
4-[4-[2-(dimethylamino)ethoxy]phenyl]-N,N-dimethylbutan-2-amine;dihydrochloride
CID 19885274
N,N-dimethyl-5-phenylpentan-2-amine
CID 12951765
N-chloro-N-ethyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 89197006
2-methyl-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 175893431
N,N-dimethyl-4-phenylmethoxybutan-2-amine
CID 142063705
N,N-diethyl-4-phenylbutan-2-amine
CID 567866
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
3-hydroxy-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 11381046
N,N-dimethyl-4-(4-phenylmethoxyphenyl)but-3-en-2-amine
CID 118344224

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine?
The IUPAC name of N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine (CID 19885180) is N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine.
What is the SMILES notation for N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine?
The canonical SMILES for N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine is CC(CCc1ccc(OCc2ccccc2)cc1)N(C)C.
What is the InChIKey of N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine?
The InChIKey is WDJQNKZGAMHDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-16(20(2)3)9-10-17-11-13-19(14-12-17)21-15-18-7-5-4-6-8-18/h4-8,11-14,16H,9-10,15H2,1-3H3.
What are the key properties of N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine?
N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine has a molecular weight of 283.42 g/mol, XLogP of 4.15, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenylmethoxyphenyl)butan-2-amine is sourced from PubChem (CID 19885180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).