5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine

C17H29N — CID 65304387

IUPAC5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCCc1ccc(CCC(C)CCNC(C)C)cc1
InChIInChI=1S/C17H29N/c1-5-16-8-10-17(11-9-16)7-6-15(4)12-13-18-14(2)3/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyDUHBIQWXHMRPMT-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.21
Rot. Bonds8

About 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine

5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine (PubChem CID 65304387) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
PubChem CID65304387
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
SMILESCCc1ccc(CCC(C)CCNC(C)C)cc1
InChIInChI=1S/C17H29N/c1-5-16-8-10-17(11-9-16)7-6-15(4)12-13-18-14(2)3/h8-11,14-15,18H,5-7,12-13H2,1-4H3
InChIKeyDUHBIQWXHMRPMT-UHFFFAOYSA-N
XLogP4.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-chlorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304384
3-methyl-5-[4-(2-methylbutan-2-yl)phenyl]-N-propan-2-ylpentan-1-amine
CID 66258058
5-(3,4-difluorophenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 65304479
5-(4-fluoro-3-methylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine
CID 79735912
N-[4-(4-ethylphenyl)-2-methylbutyl]cyclopropanamine
CID 64663740
5-(4-chlorophenyl)-N,3-dimethylpentan-1-amine
CID 65304680
5-(3,4-diethylphenyl)-N,3-dimethylpentan-1-amine
CID 113319296
N-[2-(4-ethylphenyl)ethyl]-2-(propan-2-ylamino)acetamide
CID 115158289
4-(4-butylphenyl)-N-propan-2-ylbutan-1-amine
CID 65305422
N-[1-(4-ethylphenyl)-2-methylpropyl]-3-methylbutan-1-amine
CID 43081080
3,5-dimethyl-N-propan-2-ylheptan-1-amine
CID 81018940
3,5-dimethyl-N-propan-2-yloctan-1-amine
CID 81018582

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The IUPAC name of 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine (CID 65304387) is 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine is CCc1ccc(CCC(C)CCNC(C)C)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
The InChIKey is DUHBIQWXHMRPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-16-8-10-17(11-9-16)7-6-15(4)12-13-18-14(2)3/h8-11,14-15,18H,5-7,12-13H2,1-4H3.
What are the key properties of 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine?
5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-3-methyl-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 65304387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).