(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine

C15H22N2 — CID 171236528

IUPAC(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
SMILESN[C@@H](CC1CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H22N2/c16-15(11-12-3-4-12)13-5-7-14(8-6-13)17-9-1-2-10-17/h5-8,12,15H,1-4,9-11,16H2/t15-/m0/s1
InChIKeyLEORTMCYUOXPFQ-HNNXBMFYSA-N
MW230.35 g/mol
LogP3.09
Rot. Bonds4

About (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine

(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine (PubChem CID 171236528) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
PubChem CID171236528
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
SMILESN[C@@H](CC1CC1)c1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H22N2/c16-15(11-12-3-4-12)13-5-7-14(8-6-13)17-9-1-2-10-17/h5-8,12,15H,1-4,9-11,16H2/t15-/m0/s1
InChIKeyLEORTMCYUOXPFQ-HNNXBMFYSA-N
XLogP3.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
(2R)-2-amino-2-(4-pyrrolidin-1-ylphenyl)ethanol;hydrochloride
CID 171236557
(S)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
CID 162344345
(R)-cyclopropyl-(4-piperidin-1-ylphenyl)methanamine
CID 162344344
3-amino-3-(4-pyrrolidin-1-ylphenyl)propan-1-ol
CID 82616433
(1R)-2-cyclopropyl-1-(4-fluorophenyl)ethanamine
CID 94248777
2-cyclopropyl-1-(4-methylphenyl)ethanamine
CID 22649613
2-cyclopropyl-1-(4-fluorophenyl)ethanamine;hydrochloride
CID 131637709
3-amino-3-(4-pyrrolidin-1-ylphenyl)propanoic acid
CID 53417398
(1S)-1-[4-(aminomethyl)phenyl]-2-cyclopropylethanamine
CID 150978200
(1S)-1-(4-bromophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171219224
1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750

Frequently Asked Questions

What is the IUPAC name of (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The IUPAC name of (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine (CID 171236528) is (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The canonical SMILES for (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine is N[C@@H](CC1CC1)c1ccc(N2CCCC2)cc1.
What is the InChIKey of (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
The InChIKey is LEORTMCYUOXPFQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H22N2/c16-15(11-12-3-4-12)13-5-7-14(8-6-13)17-9-1-2-10-17/h5-8,12,15H,1-4,9-11,16H2/t15-/m0/s1.
What are the key properties of (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine?
(1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine has a molecular weight of 230.35 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-cyclopropyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine is sourced from PubChem (CID 171236528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).