N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine

C19H25NO — CID 43489608

IUPACN-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine
SMILESCCNC(c1ccc(Oc2ccccc2)cc1)C(C)CC
InChIInChI=1S/C19H25NO/c1-4-15(3)19(20-5-2)16-11-13-18(14-12-16)21-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3
InChIKeyLNEJXJONZPPJCE-UHFFFAOYSA-N
MW283.42 g/mol
LogP5.18
Rot. Bonds7

About N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine

N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine (PubChem CID 43489608) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine
PubChem CID43489608
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC NameN-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine
SMILESCCNC(c1ccc(Oc2ccccc2)cc1)C(C)CC
InChIInChI=1S/C19H25NO/c1-4-15(3)19(20-5-2)16-11-13-18(14-12-16)21-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3
InChIKeyLNEJXJONZPPJCE-UHFFFAOYSA-N
XLogP5.18
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 ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-(4-phenoxyphenyl)ethanamine
CID 43285534
N-ethyl-1-(4-phenoxyphenyl)propan-1-amine
CID 43489604
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
N-ethyl-3-methyl-1,2-diphenylpentan-1-amine
CID 43489095
N-[cyclopropyl-(4-phenoxyphenyl)methyl]ethanamine
CID 43489609
N-[(1S,2R)-2-methyl-1-phenylbutyl]aniline
CID 10837600
1-(5-methylhexan-3-yl)-4-phenoxybenzene
CID 144899033
1-(4-ethoxyphenyl)-N-ethyl-2-methylpentan-1-amine
CID 43489418
1-(3,4-dichlorophenyl)-N-ethyl-2-methylbutan-1-amine
CID 43492837
N-ethyl-2-methyl-1-phenylundecan-1-amine
CID 104845429
1-(ethylamino)-1-phenylpropan-2-ol
CID 140512307
(1S)-N-methyl-1-(4-phenoxyphenyl)ethanamine
CID 67664030

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine?
The IUPAC name of N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine (CID 43489608) is N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine is CCNC(c1ccc(Oc2ccccc2)cc1)C(C)CC.
What is the InChIKey of N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine?
The InChIKey is LNEJXJONZPPJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-4-15(3)19(20-5-2)16-11-13-18(14-12-16)21-17-9-7-6-8-10-17/h6-15,19-20H,4-5H2,1-3H3.
What are the key properties of N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine?
N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 5.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methyl-1-(4-phenoxyphenyl)butan-1-amine is sourced from PubChem (CID 43489608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).