N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine

C17H27N — CID 65399254

IUPACN-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C17H27N/c1-3-18-17(15-10-6-4-5-7-11-15)16-12-8-9-14(2)13-16/h8-9,12-13,15,17-18H,3-7,10-11H2,1-2H3
InChIKeyKLMXGUMOCXQLEQ-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.62
Rot. Bonds4

About N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine

N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine (PubChem CID 65399254) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
PubChem CID65399254
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-[cycloheptyl-(3-methylphenyl)methyl]ethanamine
SMILESCCNC(c1cccc(C)c1)C1CCCCCC1
InChIInChI=1S/C17H27N/c1-3-18-17(15-10-6-4-5-7-11-15)16-12-8-9-14(2)13-16/h8-9,12-13,15,17-18H,3-7,10-11H2,1-2H3
InChIKeyKLMXGUMOCXQLEQ-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[cyclopentyl-(3-methylphenyl)methyl]ethanamine
CID 60818890
N-[(4-ethylcyclohexyl)-(3-methylphenyl)methyl]ethanamine
CID 64774201
N-[7-bicyclo[4.1.0]heptanyl-(3-methylphenyl)methyl]ethanamine
CID 115789774
N-[cycloheptyl-(3-iodophenyl)methyl]ethanamine
CID 105027846
N-[(3-methylphenyl)-(oxan-3-yl)methyl]ethanamine
CID 65331704
1-cycloheptyl-N-methyl-1-(3-methylphenyl)methanamine
CID 65399402
1-cyclohexyl-N-methyl-1-(3-methylphenyl)methanamine
CID 60818000
N-[cyclooctyl-(3-propylphenyl)methyl]ethanamine
CID 116544896
N-[cycloheptyl-(3-propylphenyl)methyl]ethanamine
CID 116544538
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[cyclopentyl-(3-methoxyphenyl)methyl]ethanamine
CID 60797775
N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
CID 114980853

Frequently Asked Questions

What is the IUPAC name of N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine?
The IUPAC name of N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine (CID 65399254) is N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine.
What is the SMILES notation for N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine?
The canonical SMILES for N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine is CCNC(c1cccc(C)c1)C1CCCCCC1.
What is the InChIKey of N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine?
The InChIKey is KLMXGUMOCXQLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-18-17(15-10-6-4-5-7-11-15)16-12-8-9-14(2)13-16/h8-9,12-13,15,17-18H,3-7,10-11H2,1-2H3.
What are the key properties of N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine?
N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cycloheptyl-(3-methylphenyl)methyl]ethanamine is sourced from PubChem (CID 65399254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).