ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine

C15H25N — CID 142543502

IUPACethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine
SMILESCC.CC1(CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C13H19N.C2H6/c1-13(7-8-13)10-12(14)9-11-5-3-2-4-6-11;1-2/h2-6,12H,7-10,14H2,1H3;1-2H3
InChIKeyZDXWFAFDANKVRS-UHFFFAOYSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds4

About ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine

ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine (PubChem CID 142543502) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine.

Molecular Properties

Compound Nameethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine
PubChem CID142543502
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Nameethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine
SMILESCC.CC1(CC(N)Cc2ccccc2)CC1
InChIInChI=1S/C13H19N.C2H6/c1-13(7-8-13)10-12(14)9-11-5-3-2-4-6-11;1-2/h2-6,12H,7-10,14H2,1H3;1-2H3
InChIKeyZDXWFAFDANKVRS-UHFFFAOYSA-N
XLogP3.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine?
The IUPAC name of ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine (CID 142543502) is ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine.
What is the SMILES notation for ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine?
The canonical SMILES for ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine is CC.CC1(CC(N)Cc2ccccc2)CC1.
What is the InChIKey of ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine?
The InChIKey is ZDXWFAFDANKVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N.C2H6/c1-13(7-8-13)10-12(14)9-11-5-3-2-4-6-11;1-2/h2-6,12H,7-10,14H2,1H3;1-2H3.
What are the key properties of ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine?
ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(1-methylcyclopropyl)-3-phenylpropan-2-amine is sourced from PubChem (CID 142543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).