N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine

C19H23NO — CID 79341732

IUPACN,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1cccc(Oc2ccccc2)c1)C(C)C
InChIInChI=1S/C19H23NO/c1-15(2)17(14-20-3)12-16-8-7-11-19(13-16)21-18-9-5-4-6-10-18/h4-13,15,20H,14H2,1-3H3
InChIKeyBMLONSQHTKLLDM-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.74
Rot. Bonds6

About N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine

N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine (PubChem CID 79341732) has the molecular formula C19H23NO and a molecular weight of 281.40 g/mol. Its IUPAC name is N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
PubChem CID79341732
Molecular FormulaC19H23NO
Molecular Weight281.40 g/mol
Exact Mass281.18
IUPAC NameN,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine
SMILESCNCC(=Cc1cccc(Oc2ccccc2)c1)C(C)C
InChIInChI=1S/C19H23NO/c1-15(2)17(14-20-3)12-16-8-7-11-19(13-16)21-18-9-5-4-6-10-18/h4-13,15,20H,14H2,1-3H3
InChIKeyBMLONSQHTKLLDM-UHFFFAOYSA-N
XLogP4.74
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[(3-methoxyphenyl)methylidene]-3-methylbutan-1-amine
CID 79339792
N-ethyl-3-methyl-2-[(3-propoxyphenyl)methylidene]butan-1-amine
CID 79339427
N-[3-methyl-2-[(3-propan-2-yloxyphenyl)methylidene]butyl]cyclopropanamine
CID 79339556
(2E)-3-methyl-N-propyl-2-[[3-(trifluoromethoxy)phenyl]methylidene]butan-1-amine
CID 107105341
1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene
CID 54558564
(E)-N,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]prop-2-en-1-amine
CID 107105350
methyl (E)-3-(3-phenoxyphenyl)prop-2-enoate
CID 10422431
3-methyl-2-(naphthalen-2-ylmethylidene)-N-propan-2-ylbutan-1-amine
CID 79339001
N-[(2S)-4-[3-(4-chlorophenoxy)phenyl]but-3-en-2-yl]hydroxylamine
CID 173361003
2-[(2,3-dimethylphenyl)methylidene]-N,3-dimethylbutan-1-amine
CID 79339514
2-[carbamoyl(hydroxy)amino]-N-[(E)-4-(3-phenoxyphenyl)but-3-en-2-yl]acetamide
CID 19761843
N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
CID 79347991

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine?
The IUPAC name of N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine (CID 79341732) is N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine.
What is the SMILES notation for N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine?
The canonical SMILES for N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine is CNCC(=Cc1cccc(Oc2ccccc2)c1)C(C)C.
What is the InChIKey of N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine?
The InChIKey is BMLONSQHTKLLDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO/c1-15(2)17(14-20-3)12-16-8-7-11-19(13-16)21-18-9-5-4-6-10-18/h4-13,15,20H,14H2,1-3H3.
What are the key properties of N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine?
N,3-dimethyl-2-[(3-phenoxyphenyl)methylidene]butan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 4.74, 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-[(3-phenoxyphenyl)methylidene]butan-1-amine is sourced from PubChem (CID 79341732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).