N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine

C18H30N2 — CID 62134046

IUPACN-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine
SMILESCCC1CCN(c2ccc(CNC(C)C)c(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-5-16-8-10-20(11-9-16)18-7-6-17(15(4)12-18)13-19-14(2)3/h6-7,12,14,16,19H,5,8-11,13H2,1-4H3
InChIKeyFCAHUZBMODJWHP-UHFFFAOYSA-N
MW274.45 g/mol
LogP4.12
Rot. Bonds5

About N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine

N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine (PubChem CID 62134046) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine
PubChem CID62134046
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine
SMILESCCC1CCN(c2ccc(CNC(C)C)c(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-5-16-8-10-20(11-9-16)18-7-6-17(15(4)12-18)13-19-14(2)3/h6-7,12,14,16,19H,5,8-11,13H2,1-4H3
InChIKeyFCAHUZBMODJWHP-UHFFFAOYSA-N
XLogP4.12
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]pyrrolidin-3-amine
CID 63165115
N-[[4-(2-ethylmorpholin-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 62135020
N-[[2-methyl-4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)phenyl]methyl]propan-2-amine
CID 66370743
N-[[2-methyl-4-(3,4,5-trimethylpiperazin-1-yl)phenyl]methyl]propan-2-amine
CID 114538629
N-[[4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-methylphenyl]methyl]propan-2-amine
CID 65319981
N-[[4-(7,7-dimethyl-1,4-thiazepan-4-yl)-2-methylphenyl]methyl]propan-2-amine
CID 107457091
1-[1-[4-(ethylaminomethyl)-3-methylphenyl]pyrrolidin-3-yl]ethanol
CID 112626665
1-[3-methyl-4-[(2-methylpropylamino)methyl]phenyl]piperidin-4-ol
CID 63059803
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
3-ethyl-4-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperazin-2-one
CID 63602571
1-[4-(chloromethyl)-3-methylphenyl]-4-propan-2-ylpiperidine
CID 103498686
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635458

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine (CID 62134046) is N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine is CCC1CCN(c2ccc(CNC(C)C)c(C)c2)CC1.
What is the InChIKey of N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine?
The InChIKey is FCAHUZBMODJWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-16-8-10-20(11-9-16)18-7-6-17(15(4)12-18)13-19-14(2)3/h6-7,12,14,16,19H,5,8-11,13H2,1-4H3.
What are the key properties of N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine?
N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine has a molecular weight of 274.45 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-ethylpiperidin-1-yl)-2-methylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 62134046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).