N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine

C18H23NO — CID 62450460

IUPACN,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
SMILESCNCC(Oc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C18H23NO/c1-14(2)18(13-19-3)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3
InChIKeySLYPTUZMLDBGJL-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.98
Rot. Bonds6

About N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine

N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine (PubChem CID 62450460) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
PubChem CID62450460
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC NameN,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine
SMILESCNCC(Oc1ccc(-c2ccccc2)cc1)C(C)C
InChIInChI=1S/C18H23NO/c1-14(2)18(13-19-3)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3
InChIKeySLYPTUZMLDBGJL-UHFFFAOYSA-N
XLogP3.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-methyl-2-(4-phenylphenoxy)butan-1-amine
CID 63491979
3-methyl-2-phenoxy-N-propylbutan-1-amine
CID 62454475
2-(4-benzylphenoxy)-N-methylpropan-1-amine
CID 62441040
(2S)-2-(4-phenylphenoxy)propan-1-ol
CID 57166864
3-methyl-2-(4-methylphenoxy)-N-(2-methylpropyl)butan-1-amine
CID 55077780
N,3-dimethyl-2-(2-phenylethoxy)butan-1-amine
CID 115001394
N-[2-(4-phenylphenoxy)propyl]quinazolin-4-amine
CID 20545319
methyl (2R)-2-(4-phenylphenoxy)propanoate
CID 7085245
1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
4-methyl-3-(4-phenylphenoxy)hexan-2-one
CID 67565039
2-(4-bromophenoxy)-N-ethyl-3-methylbutan-1-amine
CID 62453543
(2S)-3-methyl-1-(4-phenylphenoxy)butan-2-amine
CID 39109994

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine?
The IUPAC name of N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine (CID 62450460) is N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine is CNCC(Oc1ccc(-c2ccccc2)cc1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine?
The InChIKey is SLYPTUZMLDBGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO/c1-14(2)18(13-19-3)20-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-12,14,18-19H,13H2,1-3H3.
What are the key properties of N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine?
N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-2-(4-phenylphenoxy)butan-1-amine is sourced from PubChem (CID 62450460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).