N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine

C18H28ClNO — CID 103911511

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C18H28ClNO/c1-4-18(5-2)13-17(10-11-21-18)20-14(3)12-15-6-8-16(19)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyWQLINZHHPLOWLU-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.60
Rot. Bonds6

About N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine

N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine (PubChem CID 103911511) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
PubChem CID103911511
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NC(C)Cc2ccc(Cl)cc2)CCO1
InChIInChI=1S/C18H28ClNO/c1-4-18(5-2)13-17(10-11-21-18)20-14(3)12-15-6-8-16(19)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3
InChIKeyWQLINZHHPLOWLU-UHFFFAOYSA-N
XLogP4.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-diethyl-N-[1-(4-fluorophenyl)propan-2-yl]oxan-4-amine
CID 115897071
N-butan-2-yl-2,2-diethyloxan-4-amine
CID 83033470
2,2-diethyl-N-(4-phenylbutan-2-yl)oxan-4-amine
CID 83035848
N-(1-cyclopropylpropan-2-yl)-2,2-diethyloxan-4-amine
CID 115897078
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(3,4-difluorophenyl)ethyl]-2,2-diethyloxan-4-amine
CID 83035815
2,2-diethyl-N-(1-phenylethyl)oxan-4-amine
CID 83033555
N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677618
N-[1-(2-bromophenyl)ethyl]-2,2-diethyloxan-4-amine
CID 83033053
N-(1-cyclohexylethyl)-2,2-diethyloxan-4-amine
CID 83032971
2-[1-[(2,2-diethyloxan-4-yl)amino]propyl]phenol
CID 83035645

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine (CID 103911511) is N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine is CCC1(CC)CC(NC(C)Cc2ccc(Cl)cc2)CCO1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine?
The InChIKey is WQLINZHHPLOWLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClNO/c1-4-18(5-2)13-17(10-11-21-18)20-14(3)12-15-6-8-16(19)9-7-15/h6-9,14,17,20H,4-5,10-13H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine has a molecular weight of 309.88 g/mol, XLogP of 4.60, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine is sourced from PubChem (CID 103911511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).