(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine

C14H22N2 — CID 116935488

IUPAC(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCC(C)c1ccc(C(N)C2CCNC2)cc1
InChIInChI=1S/C14H22N2/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3-6,10,13-14,16H,7-9,15H2,1-2H3
InChIKeyQGEMBBNRCNUXBW-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.42
Rot. Bonds3

About (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine

(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine (PubChem CID 116935488) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
PubChem CID116935488
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine
SMILESCC(C)c1ccc(C(N)C2CCNC2)cc1
InChIInChI=1S/C14H22N2/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3-6,10,13-14,16H,7-9,15H2,1-2H3
InChIKeyQGEMBBNRCNUXBW-UHFFFAOYSA-N
XLogP2.42
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3,4-dimethylphenyl)-pyrrolidin-3-ylmethanamine
CID 116935490
2-(4-propan-2-ylphenyl)-2-pyrrolidin-3-ylacetamide
CID 69302616
pyrrolidin-3-yl(1H-pyrrol-3-yl)methanamine
CID 116935548
(4-chlorophenyl)-piperidin-4-ylmethanamine;dihydrochloride
CID 24829096
(2-methyl-5-propan-2-ylphenyl)-piperidin-3-ylmethanamine
CID 116935834
3-[amino(pyrrolidin-3-yl)methyl]phenol
CID 105446386
(4-ethoxyphenyl)-piperidin-3-ylmethanamine
CID 116935799
4-(1-piperidin-4-ylethyl)aniline
CID 115023731
(3R)-3-(4-propan-2-ylphenoxy)pyrrolidine
CID 26192167
(R)-piperidin-4-yl-[4-(trifluoromethyl)phenyl]methanamine
CID 171314104
(3-chloro-4-fluorophenyl)-piperidin-3-ylmethanamine
CID 116935836
(R)-(6-chloro-3-pyridinyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314290

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine?
The IUPAC name of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine (CID 116935488) is (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine.
What is the SMILES notation for (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine?
The canonical SMILES for (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine is CC(C)c1ccc(C(N)C2CCNC2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine?
The InChIKey is QGEMBBNRCNUXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3-6,10,13-14,16H,7-9,15H2,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine?
(4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine has a molecular weight of 218.34 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-pyrrolidin-3-ylmethanamine is sourced from PubChem (CID 116935488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).