N-[2-(4-propylphenoxy)propyl]cyclohexanamine

C18H29NO — CID 63515427

IUPACN-[2-(4-propylphenoxy)propyl]cyclohexanamine
SMILESCCCc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-7-16-10-12-18(13-11-16)20-15(2)14-19-17-8-5-4-6-9-17/h10-13,15,17,19H,3-9,14H2,1-2H3
InChIKeyRTSPDUCCTUMJCE-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.33
Rot. Bonds7

About N-[2-(4-propylphenoxy)propyl]cyclohexanamine

N-[2-(4-propylphenoxy)propyl]cyclohexanamine (PubChem CID 63515427) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[2-(4-propylphenoxy)propyl]cyclohexanamine.

Molecular Properties

Compound NameN-[2-(4-propylphenoxy)propyl]cyclohexanamine
PubChem CID63515427
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[2-(4-propylphenoxy)propyl]cyclohexanamine
SMILESCCCc1ccc(OC(C)CNC2CCCCC2)cc1
InChIInChI=1S/C18H29NO/c1-3-7-16-10-12-18(13-11-16)20-15(2)14-19-17-8-5-4-6-9-17/h10-13,15,17,19H,3-9,14H2,1-2H3
InChIKeyRTSPDUCCTUMJCE-UHFFFAOYSA-N
XLogP4.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-ethylphenoxy)propyl]cyclohexanamine
CID 54797687
N-[2-(4-ethoxyphenoxy)propyl]cyclohexanamine
CID 62571326
N-[2-(4-propoxyphenoxy)propyl]cyclopentanamine
CID 62597520
N-[2-(4-methylphenoxy)propyl]cyclohexanamine
CID 54797714
N-[2-(4-chlorophenoxy)propyl]cyclohexanamine
CID 46736216
N-[2-(4-propoxyphenoxy)propyl]cyclopropanamine
CID 62486929
N-[3-methoxy-2-(4-propylphenoxy)propyl]cyclopropanamine
CID 103228649
N-[2-(3-ethoxyphenoxy)propyl]cyclohexanamine
CID 62584741
N-[(4-propylphenyl)methyl]cyclohexanamine
CID 94685509
N-[2-(4-butylphenoxy)-3-methylbutyl]cyclopropanamine
CID 115493372
N-[2-(4-bromo-3-fluorophenoxy)propyl]cyclohexanamine
CID 65201068
N-[(4-propan-2-yloxyphenyl)methyl]cyclopentanamine
CID 43434812

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-propylphenoxy)propyl]cyclohexanamine?
The IUPAC name of N-[2-(4-propylphenoxy)propyl]cyclohexanamine (CID 63515427) is N-[2-(4-propylphenoxy)propyl]cyclohexanamine.
What is the SMILES notation for N-[2-(4-propylphenoxy)propyl]cyclohexanamine?
The canonical SMILES for N-[2-(4-propylphenoxy)propyl]cyclohexanamine is CCCc1ccc(OC(C)CNC2CCCCC2)cc1.
What is the InChIKey of N-[2-(4-propylphenoxy)propyl]cyclohexanamine?
The InChIKey is RTSPDUCCTUMJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-7-16-10-12-18(13-11-16)20-15(2)14-19-17-8-5-4-6-9-17/h10-13,15,17,19H,3-9,14H2,1-2H3.
What are the key properties of N-[2-(4-propylphenoxy)propyl]cyclohexanamine?
N-[2-(4-propylphenoxy)propyl]cyclohexanamine has a molecular weight of 275.44 g/mol, XLogP of 4.33, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-propylphenoxy)propyl]cyclohexanamine is sourced from PubChem (CID 63515427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).