N-[2-(2-methylphenyl)ethyl]heptan-4-amine

C16H27N — CID 79762422

IUPACN-[2-(2-methylphenyl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1ccccc1C
InChIInChI=1S/C16H27N/c1-4-8-16(9-5-2)17-13-12-15-11-7-6-10-14(15)3/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3
InChIKeyCZCBTTNNGNOHKC-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.10
Rot. Bonds8

About N-[2-(2-methylphenyl)ethyl]heptan-4-amine

N-[2-(2-methylphenyl)ethyl]heptan-4-amine (PubChem CID 79762422) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[2-(2-methylphenyl)ethyl]heptan-4-amine.

Molecular Properties

Compound NameN-[2-(2-methylphenyl)ethyl]heptan-4-amine
PubChem CID79762422
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[2-(2-methylphenyl)ethyl]heptan-4-amine
SMILESCCCC(CCC)NCCc1ccccc1C
InChIInChI=1S/C16H27N/c1-4-8-16(9-5-2)17-13-12-15-11-7-6-10-14(15)3/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3
InChIKeyCZCBTTNNGNOHKC-UHFFFAOYSA-N
XLogP4.10
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylphenyl)-N-propyldecan-3-amine
CID 105125070
1-(2-methylphenyl)-N-propyl-5-thiophen-2-ylpentan-3-amine
CID 105150378
N-ethyl-1-(2-methylphenyl)heptan-3-amine
CID 105125674
1-(2-methylphenyl)-N-propyloct-7-en-3-amine
CID 105153242
4-(2-methylphenyl)-1-propoxy-N-propylbutan-2-amine
CID 105165477
1-N-methyl-1-N-[(2-methylphenyl)methyl]-2-N-propylbutane-1,2-diamine
CID 62039915
N-(2-phenylethyl)octan-4-amine
CID 11128217
N-[2-(2-methylphenyl)ethyl]but-3-en-2-amine
CID 107907265
2-methyl-N-[2-(2-methylphenyl)ethyl]butan-2-amine
CID 54852975
4-methyl-1-(2-methylphenyl)-N-propylhexan-3-amine
CID 105170610
1-(4-methyl-3-pyridinyl)-N-propylhexan-3-amine
CID 66272340
4-[2-(2-methylphenyl)ethylamino]pentanoic acid
CID 79762866

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylphenyl)ethyl]heptan-4-amine?
The IUPAC name of N-[2-(2-methylphenyl)ethyl]heptan-4-amine (CID 79762422) is N-[2-(2-methylphenyl)ethyl]heptan-4-amine.
What is the SMILES notation for N-[2-(2-methylphenyl)ethyl]heptan-4-amine?
The canonical SMILES for N-[2-(2-methylphenyl)ethyl]heptan-4-amine is CCCC(CCC)NCCc1ccccc1C.
What is the InChIKey of N-[2-(2-methylphenyl)ethyl]heptan-4-amine?
The InChIKey is CZCBTTNNGNOHKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-8-16(9-5-2)17-13-12-15-11-7-6-10-14(15)3/h6-7,10-11,16-17H,4-5,8-9,12-13H2,1-3H3.
What are the key properties of N-[2-(2-methylphenyl)ethyl]heptan-4-amine?
N-[2-(2-methylphenyl)ethyl]heptan-4-amine has a molecular weight of 233.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylphenyl)ethyl]heptan-4-amine is sourced from PubChem (CID 79762422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).