N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine

C18H28ClNO — CID 63475562

IUPACN-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-14(2)20-13-18(15-9-11-16(19)12-10-15)21-17-7-5-3-4-6-8-17/h9-12,14,17-18,20H,3-8,13H2,1-2H3
InChIKeyDXNICASBRPTXTJ-UHFFFAOYSA-N
MW309.88 g/mol
LogP5.12
Rot. Bonds6

About N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine

N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine (PubChem CID 63475562) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
PubChem CID63475562
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine
SMILESCC(C)NCC(OC1CCCCCC1)c1ccc(Cl)cc1
InChIInChI=1S/C18H28ClNO/c1-14(2)20-13-18(15-9-11-16(19)12-10-15)21-17-7-5-3-4-6-8-17/h9-12,14,17-18,20H,3-8,13H2,1-2H3
InChIKeyDXNICASBRPTXTJ-UHFFFAOYSA-N
XLogP5.12
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.88
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-chlorophenyl)-2-cyclobutyloxyethyl]propan-2-amine
CID 62382200
N-[2-cyclohexyloxy-2-(4-fluorophenyl)ethyl]propan-2-amine
CID 62108612
N-[2-(4-bromophenyl)-2-(4-methylcyclohexyl)oxyethyl]propan-2-amine
CID 63475506
1-chloro-4-(1-cyclobutyloxy-2-iodoethyl)benzene
CID 114773972
N-[2-(4-chlorophenyl)-2-(2-cyclobutylethoxy)ethyl]propan-2-amine
CID 106205093
N-[2-cyclobutyloxy-2-(2-fluorophenyl)ethyl]propan-2-amine
CID 62383669
N-[2-(4-chlorophenyl)-2-cyclopentylethyl]propan-2-amine
CID 82933059
1-(4-chlorophenyl)-1-cyclohexyloxypropan-2-amine
CID 55015439
N-[2-(3-chlorophenyl)-2-(oxolan-3-yloxy)ethyl]propan-2-amine
CID 63556687
1-(4-chlorophenyl)-1-cyclohexyloxybutan-2-amine
CID 55014714
1-(4-chlorophenyl)-1-cycloheptyloxybutan-2-amine
CID 63461230
N-[2-(4-bromophenyl)-2-cyclopentyloxyethyl]cyclopropanamine
CID 62105937

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine (CID 63475562) is N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine is CC(C)NCC(OC1CCCCCC1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine?
The InChIKey is DXNICASBRPTXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-14(2)20-13-18(15-9-11-16(19)12-10-15)21-17-7-5-3-4-6-8-17/h9-12,14,17-18,20H,3-8,13H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine?
N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine has a molecular weight of 309.88 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-cycloheptyloxyethyl]propan-2-amine is sourced from PubChem (CID 63475562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).