N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine

C17H27NO — CID 2846450

IUPACN-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
SMILESCOc1ccc(CC(C)NC2CCCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-16-7-5-3-4-6-8-16)13-15-9-11-17(19-2)12-10-15/h9-12,14,16,18H,3-8,13H2,1-2H3
InChIKeyJKGBOWFDMJUQFV-UHFFFAOYSA-N
MW261.41 g/mol
LogP3.94
Rot. Bonds5

About N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine

N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine (PubChem CID 2846450) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine.

Molecular Properties

Compound NameN-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
PubChem CID2846450
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine
SMILESCOc1ccc(CC(C)NC2CCCCCC2)cc1
InChIInChI=1S/C17H27NO/c1-14(18-16-7-5-3-4-6-8-16)13-15-9-11-17(19-2)12-10-15/h9-12,14,16,18H,3-8,13H2,1-2H3
InChIKeyJKGBOWFDMJUQFV-UHFFFAOYSA-N
XLogP3.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
N-[4-(4-methoxyphenyl)butan-2-yl]cyclohexanamine
CID 43755987
N-[1-(4-methoxyphenyl)propan-2-yl]-1-propan-2-ylpiperidin-4-amine
CID 43508797
N-[1-(4-methoxyphenyl)propan-2-yl]-1-methylpiperidin-3-amine
CID 61210662
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-fluorophenyl)propan-2-yl]cyclooctanamine
CID 63464519
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639
1-cyclohexyl-N-[1-(4-methoxyphenyl)propan-2-yl]propan-1-amine
CID 63476458
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
N-[1-(3-amino-4-methoxyphenyl)propan-2-yl]cyclooctanamine
CID 82257445
1-cyclohexyl-2-(4-methoxyphenyl)-N-methylethanamine
CID 54980091
N-[1-(4-methoxyphenyl)ethyl]cyclohexanamine
CID 43189950

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine?
The IUPAC name of N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine (CID 2846450) is N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine.
What is the SMILES notation for N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine?
The canonical SMILES for N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine is COc1ccc(CC(C)NC2CCCCCC2)cc1.
What is the InChIKey of N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine?
The InChIKey is JKGBOWFDMJUQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-14(18-16-7-5-3-4-6-8-16)13-15-9-11-17(19-2)12-10-15/h9-12,14,16,18H,3-8,13H2,1-2H3.
What are the key properties of N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine?
N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine has a molecular weight of 261.41 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methoxyphenyl)propan-2-yl]cycloheptanamine is sourced from PubChem (CID 2846450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).