N-ethyl-3-(4-methylphenyl)pentan-2-amine

C14H23N — CID 66436565

IUPACN-ethyl-3-(4-methylphenyl)pentan-2-amine
SMILESCCNC(C)C(CC)c1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-14(12(4)15-6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6H2,1-4H3
InChIKeyIQMPPCOVSUNKLF-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.49
Rot. Bonds5

About N-ethyl-3-(4-methylphenyl)pentan-2-amine

N-ethyl-3-(4-methylphenyl)pentan-2-amine (PubChem CID 66436565) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is N-ethyl-3-(4-methylphenyl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(4-methylphenyl)pentan-2-amine
PubChem CID66436565
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC NameN-ethyl-3-(4-methylphenyl)pentan-2-amine
SMILESCCNC(C)C(CC)c1ccc(C)cc1
InChIInChI=1S/C14H23N/c1-5-14(12(4)15-6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6H2,1-4H3
InChIKeyIQMPPCOVSUNKLF-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-4-[(3R)-2-methylpentan-3-yl]benzene
CID 176819628
4-[2-(ethylamino)pentan-3-yl]benzenesulfonamide
CID 55162014
2-(ethylamino)-1-(4-methylphenyl)propan-1-ol;hydrochloride
CID 76974190
N-ethyl-2-methyl-1-(4-methylphenyl)butan-1-amine
CID 43489330
4-[4-(4-methylphenyl)hexan-3-yl]phenol
CID 3847836
3-phenyl-N-propylpentan-2-amine
CID 66438754
1-methyl-4-(1-methylsulfanyl-3-phenylpentan-2-yl)benzene
CID 143022955
acetic acid;(1S)-N-ethyl-1-(4-methylphenyl)ethanamine
CID 91361825
2-(ethylamino)-3-methyl-1-(4-methylphenyl)butan-1-ol
CID 82312422
N-[(4-methylphenyl)-phenylmethyl]ethanamine
CID 43389847
1-methyl-4-[(4S)-3-methylheptan-4-yl]benzene
CID 142349807
N-propyl-3-[4-(trifluoromethyl)phenyl]pentan-2-amine
CID 63200596

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(4-methylphenyl)pentan-2-amine?
The IUPAC name of N-ethyl-3-(4-methylphenyl)pentan-2-amine (CID 66436565) is N-ethyl-3-(4-methylphenyl)pentan-2-amine.
What is the SMILES notation for N-ethyl-3-(4-methylphenyl)pentan-2-amine?
The canonical SMILES for N-ethyl-3-(4-methylphenyl)pentan-2-amine is CCNC(C)C(CC)c1ccc(C)cc1.
What is the InChIKey of N-ethyl-3-(4-methylphenyl)pentan-2-amine?
The InChIKey is IQMPPCOVSUNKLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-14(12(4)15-6-2)13-9-7-11(3)8-10-13/h7-10,12,14-15H,5-6H2,1-4H3.
What are the key properties of N-ethyl-3-(4-methylphenyl)pentan-2-amine?
N-ethyl-3-(4-methylphenyl)pentan-2-amine has a molecular weight of 205.34 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(4-methylphenyl)pentan-2-amine is sourced from PubChem (CID 66436565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).