N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine

C14H22N2O — CID 79724448

IUPACN-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1ccc(C)cc1C(C)NC1CCNC1
InChIInChI=1S/C14H22N2O/c1-10-4-5-14(17-3)13(8-10)11(2)16-12-6-7-15-9-12/h4-5,8,11-12,15-16H,6-7,9H2,1-3H3
InChIKeyUZVXCUQPWYEGRI-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.02
Rot. Bonds4

About N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine

N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine (PubChem CID 79724448) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
PubChem CID79724448
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine
SMILESCOc1ccc(C)cc1C(C)NC1CCNC1
InChIInChI=1S/C14H22N2O/c1-10-4-5-14(17-3)13(8-10)11(2)16-12-6-7-15-9-12/h4-5,8,11-12,15-16H,6-7,9H2,1-3H3
InChIKeyUZVXCUQPWYEGRI-UHFFFAOYSA-N
XLogP2.02
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(2-methoxy-5-methylphenyl)ethylamino]piperidin-2-one
CID 63663695
1-cyclopropyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-4-amine
CID 43747073
1-N-[1-(2-methoxy-5-methylphenyl)ethyl]cyclobutane-1,3-diamine
CID 80559992
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1,5-dimethylpyrrolidin-3-amine
CID 81301037
N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidine-4-carboxamide
CID 43703441
N-[(1R)-1-(4-methylphenyl)ethyl]pyrrolidin-3-amine
CID 81349453
1-ethyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]piperidin-3-amine
CID 61171341
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[1-(2-methoxy-5-methylphenyl)ethyl]-5,5-dimethylthian-3-amine
CID 79955712
N-[1-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 79741892
N-(dicyclopropylmethyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43204161
N-[1-(2-chlorophenyl)ethyl]pyrrolidin-3-amine
CID 79724475

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine (CID 79724448) is N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine is COc1ccc(C)cc1C(C)NC1CCNC1.
What is the InChIKey of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine?
The InChIKey is UZVXCUQPWYEGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-4-5-14(17-3)13(8-10)11(2)16-12-6-7-15-9-12/h4-5,8,11-12,15-16H,6-7,9H2,1-3H3.
What are the key properties of N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine?
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine has a molecular weight of 234.34 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 79724448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).