(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine

C13H20N2 — CID 71052306

IUPAC(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
SMILESCCc1ccc(N[C@@H]2CCNC2)cc1C
InChIInChI=1S/C13H20N2/c1-3-11-4-5-12(8-10(11)2)15-13-6-7-14-9-13/h4-5,8,13-15H,3,6-7,9H2,1-2H3/t13-/m1/s1
InChIKeyYTXBSCQXUIVCOE-CYBMUJFWSA-N
MW204.32 g/mol
LogP2.33
Rot. Bonds3

About (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine

(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine (PubChem CID 71052306) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
PubChem CID71052306
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine
SMILESCCc1ccc(N[C@@H]2CCNC2)cc1C
InChIInChI=1S/C13H20N2/c1-3-11-4-5-12(8-10(11)2)15-13-6-7-14-9-13/h4-5,8,13-15H,3,6-7,9H2,1-2H3/t13-/m1/s1
InChIKeyYTXBSCQXUIVCOE-CYBMUJFWSA-N
XLogP2.33
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethylphenyl)pyrrolidin-3-amine
CID 79724567
2-methyl-5-(pyrrolidin-3-ylamino)benzenesulfonamide
CID 79724380
N-(4-methylphenyl)pyrrolidin-3-amine
CID 68925011
N-(4-ethyl-3-methylphenyl)-2-methyloxan-4-amine
CID 113354158
[2-ethoxy-5-(pyrrolidin-3-ylamino)phenyl]methanol
CID 79730547
N-(3-butyl-4-methylphenyl)piperidin-4-amine
CID 69343774
1-methyl-5-(pyrrolidin-3-ylamino)pyridin-2-one
CID 79730284
N-(3-methylsulfonylphenyl)pyrrolidin-3-amine
CID 79730618
(3R)-N-(4-chloro-3-methoxyphenyl)pyrrolidin-3-amine
CID 155923260
N-(4-ethylphenyl)piperidin-4-amine
CID 43829435
N-methyl-4-(pyrrolidin-3-ylamino)benzamide
CID 79723972
4-[[(3R)-pyrrolidin-3-yl]amino]benzonitrile
CID 58254788

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine (CID 71052306) is (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine is CCc1ccc(N[C@@H]2CCNC2)cc1C.
What is the InChIKey of (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine?
The InChIKey is YTXBSCQXUIVCOE-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H20N2/c1-3-11-4-5-12(8-10(11)2)15-13-6-7-14-9-13/h4-5,8,13-15H,3,6-7,9H2,1-2H3/t13-/m1/s1.
What are the key properties of (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine?
(3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine has a molecular weight of 204.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-ethyl-3-methylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 71052306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).