N-cyclopentyloxy-1-phenylpropan-2-amine

C14H21NO — CID 83229011

IUPACN-cyclopentyloxy-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NOC1CCCC1
InChIInChI=1S/C14H21NO/c1-12(11-13-7-3-2-4-8-13)15-16-14-9-5-6-10-14/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3
InChIKeyLGAOGFKJCTTWIT-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.08
Rot. Bonds5

About N-cyclopentyloxy-1-phenylpropan-2-amine

N-cyclopentyloxy-1-phenylpropan-2-amine (PubChem CID 83229011) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-cyclopentyloxy-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-1-phenylpropan-2-amine
PubChem CID83229011
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-cyclopentyloxy-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NOC1CCCC1
InChIInChI=1S/C14H21NO/c1-12(11-13-7-3-2-4-8-13)15-16-14-9-5-6-10-14/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3
InChIKeyLGAOGFKJCTTWIT-UHFFFAOYSA-N
XLogP3.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-1-phenylpropan-2-amine
CID 63012592
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
CID 83229577
N-cyclopentyloxy-1-phenylpropan-1-amine
CID 83228943
2-cyclohexylpropylbenzene
CID 15846297
1-(2-chlorophenyl)-N-cyclopentyloxyethanamine
CID 83228544
N-methyl-1-phenylpropan-2-amine
CID 118309477
N-(1-phenylpropan-2-yl)spiro[4.5]decan-8-amine
CID 114817644
N-(1-phenylpropan-2-yl)-3-propan-2-ylcyclohexan-1-amine
CID 107448510
(2R)-N-(cyclohexylmethyl)-4-phenylbutan-2-amine
CID 51526703
N-cyclopentyloxy-2-phenylacetamide
CID 83202949
N-benzyl-1-cyclopentylpropan-2-amine
CID 71379591
[2-(cyclohexylmethyl)-3-methylbutyl]benzene
CID 54237378

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-1-phenylpropan-2-amine?
The IUPAC name of N-cyclopentyloxy-1-phenylpropan-2-amine (CID 83229011) is N-cyclopentyloxy-1-phenylpropan-2-amine.
What is the SMILES notation for N-cyclopentyloxy-1-phenylpropan-2-amine?
The canonical SMILES for N-cyclopentyloxy-1-phenylpropan-2-amine is CC(Cc1ccccc1)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-1-phenylpropan-2-amine?
The InChIKey is LGAOGFKJCTTWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-12(11-13-7-3-2-4-8-13)15-16-14-9-5-6-10-14/h2-4,7-8,12,14-15H,5-6,9-11H2,1H3.
What are the key properties of N-cyclopentyloxy-1-phenylpropan-2-amine?
N-cyclopentyloxy-1-phenylpropan-2-amine has a molecular weight of 219.33 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-1-phenylpropan-2-amine is sourced from PubChem (CID 83229011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).