N-[1-(2-methylphenyl)ethyl]heptan-2-amine

C16H27N — CID 43109011

IUPACN-[1-(2-methylphenyl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NC(C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-5-6-7-11-14(3)17-15(4)16-12-9-8-10-13(16)2/h8-10,12,14-15,17H,5-7,11H2,1-4H3
InChIKeyDYFCETCSLVGEKE-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.61
Rot. Bonds7

About N-[1-(2-methylphenyl)ethyl]heptan-2-amine

N-[1-(2-methylphenyl)ethyl]heptan-2-amine (PubChem CID 43109011) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]heptan-2-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]heptan-2-amine
PubChem CID43109011
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-[1-(2-methylphenyl)ethyl]heptan-2-amine
SMILESCCCCCC(C)NC(C)c1ccccc1C
InChIInChI=1S/C16H27N/c1-5-6-7-11-14(3)17-15(4)16-12-9-8-10-13(16)2/h8-10,12,14-15,17H,5-7,11H2,1-4H3
InChIKeyDYFCETCSLVGEKE-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[1-(2-methylphenyl)ethyl]octan-2-amine
CID 43129972
N-[1-(2-methylphenyl)ethyl]nonan-2-amine
CID 43129973
N-[(1S)-1-(2-bromophenyl)ethyl]heptan-2-amine
CID 81383315
5-methyl-N-[(1R)-1-(2-methylphenyl)ethyl]hexan-2-amine
CID 81373170
N-(1-naphthalen-1-ylethyl)octan-2-amine
CID 43130017
N-[1-(2-methoxyphenyl)ethyl]octan-2-amine
CID 43129932
N-[1-(2-methylphenyl)ethyl]hexan-3-amine
CID 62117976
N-[(1S)-1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 81374312
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-2-amine
CID 81375675
N-[1-(2-methylphenyl)ethyl]-4-phenylbutan-2-amine
CID 43096454
N-[1-(2-methylphenyl)ethyl]pentan-1-amine
CID 43177677
1-methyl-2-tetradecan-2-ylbenzene
CID 54096578

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]heptan-2-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]heptan-2-amine (CID 43109011) is N-[1-(2-methylphenyl)ethyl]heptan-2-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]heptan-2-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]heptan-2-amine is CCCCCC(C)NC(C)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]heptan-2-amine?
The InChIKey is DYFCETCSLVGEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-6-7-11-14(3)17-15(4)16-12-9-8-10-13(16)2/h8-10,12,14-15,17H,5-7,11H2,1-4H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]heptan-2-amine?
N-[1-(2-methylphenyl)ethyl]heptan-2-amine has a molecular weight of 233.40 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylphenyl)ethyl]heptan-2-amine is sourced from PubChem (CID 43109011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).