N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine

C16H25NO — CID 83229577

IUPACN-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NOC2CCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-6-5-7-15(12-13)11-10-14(2)17-18-16-8-3-4-9-16/h5-7,12,14,16-17H,3-4,8-11H2,1-2H3
InChIKeyVMJYXXPDOWEZSE-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.78
Rot. Bonds6

About N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine

N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine (PubChem CID 83229577) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine.

Molecular Properties

Compound NameN-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
PubChem CID83229577
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine
SMILESCc1cccc(CCC(C)NOC2CCCC2)c1
InChIInChI=1S/C16H25NO/c1-13-6-5-7-15(12-13)11-10-14(2)17-18-16-8-3-4-9-16/h5-7,12,14,16-17H,3-4,8-11H2,1-2H3
InChIKeyVMJYXXPDOWEZSE-UHFFFAOYSA-N
XLogP3.78
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.78
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-(2-cyclopentylethyl)-4-(3-methylphenyl)butan-2-amine
CID 63450215
2,6-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]piperidin-1-amine
CID 83010343
N-cyclopentyloxy-1-phenylpropan-2-amine
CID 83229011
N-[4-(3-methylphenyl)butan-2-yl]cyclopent-3-en-1-amine
CID 115728445
[1-cyclohexyl-3-(3-methylphenyl)propyl]hydrazine
CID 105282141
N-(2-cyclopropylpropyl)-4-(3-methylphenyl)butan-2-amine
CID 113475005
2,3-dimethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 63420923
3-ethyl-N-[4-(3-methylphenyl)butan-2-yl]cyclohexan-1-amine
CID 64742986
4-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]butan-2-amine
CID 63477631
[1-cyclobutyl-4-(3-methylphenyl)butan-2-yl]hydrazine
CID 105310186
(2R)-2-[4-(3-methylphenyl)butan-2-ylamino]propan-1-ol
CID 114987003
N-benzyl-4-(3-methylphenyl)butan-2-amine
CID 61170329

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine?
The IUPAC name of N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine (CID 83229577) is N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine.
What is the SMILES notation for N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine?
The canonical SMILES for N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine is Cc1cccc(CCC(C)NOC2CCCC2)c1.
What is the InChIKey of N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine?
The InChIKey is VMJYXXPDOWEZSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-13-6-5-7-15(12-13)11-10-14(2)17-18-16-8-3-4-9-16/h5-7,12,14,16-17H,3-4,8-11H2,1-2H3.
What are the key properties of N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine?
N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-4-(3-methylphenyl)butan-2-amine is sourced from PubChem (CID 83229577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).