4-(2-methyl-4-phenoxyphenyl)heptan-1-amine

C20H27NO — CID 83937212

IUPAC4-(2-methyl-4-phenoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C20H27NO/c1-3-8-17(9-7-14-21)20-13-12-19(15-16(20)2)22-18-10-5-4-6-11-18/h4-6,10-13,15,17H,3,7-9,14,21H2,1-2H3
InChIKeyCEFXZXBFXXRTSF-UHFFFAOYSA-N
MW297.44 g/mol
LogP5.41
Rot. Bonds8

About 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine

4-(2-methyl-4-phenoxyphenyl)heptan-1-amine (PubChem CID 83937212) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine.

Molecular Properties

Compound Name4-(2-methyl-4-phenoxyphenyl)heptan-1-amine
PubChem CID83937212
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name4-(2-methyl-4-phenoxyphenyl)heptan-1-amine
SMILESCCCC(CCCN)c1ccc(Oc2ccccc2)cc1C
InChIInChI=1S/C20H27NO/c1-3-8-17(9-7-14-21)20-13-12-19(15-16(20)2)22-18-10-5-4-6-11-18/h4-6,10-13,15,17H,3,7-9,14,21H2,1-2H3
InChIKeyCEFXZXBFXXRTSF-UHFFFAOYSA-N
XLogP5.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.44
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[(Z)-non-6-en-4-yl]-4-phenoxybenzene
CID 83937295
1-(2-methyl-4-phenoxyphenyl)ethanol
CID 82264634
4-(2-ethyl-4-methoxyphenyl)heptan-1-amine
CID 83941516
1-(4-bromobutan-2-yl)-2-methyl-4-phenoxybenzene
CID 83937210
4-(2,5-dimethyl-4-propoxyphenyl)heptan-1-amine
CID 83940931
4-(3-methoxyphenyl)heptan-1-amine
CID 83928909
3-(methylamino)-3-(2-methyl-4-phenoxyphenyl)propan-1-ol
CID 83937241
1-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937321
1-heptan-4-yl-2,4-dimethylbenzene
CID 142336118
6-(2-methyl-4-phenoxyphenyl)heptane-3,4-diol
CID 83937319
4-(3,4-dimethylphenyl)heptan-1-amine
CID 83927883
3-(2-methyl-4-phenoxyphenyl)butyl thiocyanate
CID 112719113

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine?
The IUPAC name of 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine (CID 83937212) is 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine.
What is the SMILES notation for 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine?
The canonical SMILES for 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine is CCCC(CCCN)c1ccc(Oc2ccccc2)cc1C.
What is the InChIKey of 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine?
The InChIKey is CEFXZXBFXXRTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-3-8-17(9-7-14-21)20-13-12-19(15-16(20)2)22-18-10-5-4-6-11-18/h4-6,10-13,15,17H,3,7-9,14,21H2,1-2H3.
What are the key properties of 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine?
4-(2-methyl-4-phenoxyphenyl)heptan-1-amine has a molecular weight of 297.44 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-4-phenoxyphenyl)heptan-1-amine is sourced from PubChem (CID 83937212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).