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

C14H23N — CID 43177677

IUPACN-[1-(2-methylphenyl)ethyl]pentan-1-amine
SMILESCCCCCNC(C)c1ccccc1C
InChIInChI=1S/C14H23N/c1-4-5-8-11-15-13(3)14-10-7-6-9-12(14)2/h6-7,9-10,13,15H,4-5,8,11H2,1-3H3
InChIKeyIEVPDEFDARAYFD-UHFFFAOYSA-N
MW205.35 g/mol
LogP3.84
Rot. Bonds6

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

N-[1-(2-methylphenyl)ethyl]pentan-1-amine (PubChem CID 43177677) has the molecular formula C14H23N and a molecular weight of 205.35 g/mol. Its IUPAC name is N-[1-(2-methylphenyl)ethyl]pentan-1-amine.

Molecular Properties

Compound NameN-[1-(2-methylphenyl)ethyl]pentan-1-amine
PubChem CID43177677
Molecular FormulaC14H23N
Molecular Weight205.35 g/mol
Exact Mass205.18
IUPAC NameN-[1-(2-methylphenyl)ethyl]pentan-1-amine
SMILESCCCCCNC(C)c1ccccc1C
InChIInChI=1S/C14H23N/c1-4-5-8-11-15-13(3)14-10-7-6-9-12(14)2/h6-7,9-10,13,15H,4-5,8,11H2,1-3H3
InChIKeyIEVPDEFDARAYFD-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.35
LogP ≤ 53.84
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-[(1R)-1-(2-methylphenyl)ethyl]heptan-1-amine
CID 81373594
6-[[(1S)-1-(2-methylphenyl)ethyl]amino]hexan-1-ol
CID 107703523
N-[1-(2-methylphenyl)ethyl]-3-propoxypropan-1-amine
CID 82941407
N'-[1-(2-methylphenyl)ethyl]propane-1,3-diamine
CID 60889520
4-methoxy-N-[(1S)-1-(2-methylphenyl)ethyl]butan-1-amine
CID 104647527
3-ethylsulfonyl-N-[1-(2-methylphenyl)ethyl]propan-1-amine
CID 65092891
N-[1-(4-methyl-3-pyridinyl)ethyl]pentan-1-amine
CID 115888378
N-[(1S)-1-(2-bromophenyl)ethyl]octan-1-amine
CID 81383416
N-[(1R)-1-(2-bromophenyl)ethyl]hexan-1-amine
CID 29285129
N-[(1R)-1-(2-fluorophenyl)ethyl]heptan-1-amine
CID 81380794
N-[1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 43181577
N-[(1R)-1-(2-methylphenyl)ethyl]-3-methylsulfanylpropan-1-amine
CID 28653117

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylphenyl)ethyl]pentan-1-amine?
The IUPAC name of N-[1-(2-methylphenyl)ethyl]pentan-1-amine (CID 43177677) is N-[1-(2-methylphenyl)ethyl]pentan-1-amine.
What is the SMILES notation for N-[1-(2-methylphenyl)ethyl]pentan-1-amine?
The canonical SMILES for N-[1-(2-methylphenyl)ethyl]pentan-1-amine is CCCCCNC(C)c1ccccc1C.
What is the InChIKey of N-[1-(2-methylphenyl)ethyl]pentan-1-amine?
The InChIKey is IEVPDEFDARAYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-4-5-8-11-15-13(3)14-10-7-6-9-12(14)2/h6-7,9-10,13,15H,4-5,8,11H2,1-3H3.
What are the key properties of N-[1-(2-methylphenyl)ethyl]pentan-1-amine?
N-[1-(2-methylphenyl)ethyl]pentan-1-amine has a molecular weight of 205.35 g/mol, XLogP of 3.84, 6 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]pentan-1-amine is sourced from PubChem (CID 43177677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).