N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine

C17H26ClNO — CID 103291935

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCc2c(Cl)cccc2OC)CC1
InChIInChI=1S/C17H26ClNO/c1-3-13-6-4-7-14(11-10-13)19-12-15-16(18)8-5-9-17(15)20-2/h5,8-9,13-14,19H,3-4,6-7,10-12H2,1-2H3
InChIKeyVVAVMIUUELWFKF-UHFFFAOYSA-N
MW295.85 g/mol
LogP4.80
Rot. Bonds5

About N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine

N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine (PubChem CID 103291935) has the molecular formula C17H26ClNO and a molecular weight of 295.85 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
PubChem CID103291935
Molecular FormulaC17H26ClNO
Molecular Weight295.85 g/mol
Exact Mass295.17
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine
SMILESCCC1CCCC(NCc2c(Cl)cccc2OC)CC1
InChIInChI=1S/C17H26ClNO/c1-3-13-6-4-7-14(11-10-13)19-12-15-16(18)8-5-9-17(15)20-2/h5,8-9,13-14,19H,3-4,6-7,10-12H2,1-2H3
InChIKeyVVAVMIUUELWFKF-UHFFFAOYSA-N
XLogP4.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.85
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-4-ethylcyclohexan-1-amine
CID 63454775
N-[[2-chloro-6-(cyclopentylmethoxy)phenyl]methyl]cyclopropanamine
CID 114319363
N-[(2-chloro-6-methoxyphenyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
CID 103291927
N-[(2-chloro-6-methoxyphenyl)methyl]-1,1-dioxothian-4-amine
CID 104815757
N-[(2-chloro-6-methoxyphenyl)methyl]-2,6-dimethylcyclohexan-1-amine
CID 103292030
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671630
N-[(2-chloro-6-methoxyphenyl)methyl]-2-methylcyclopentan-1-amine
CID 104815987
N-[[2-chloro-6-(cyclopropylmethoxymethoxy)phenyl]methyl]cyclopropanamine
CID 106929381
N-[(2-chloro-6-methoxyphenyl)methyl]-3-propan-2-ylcyclobutan-1-amine
CID 103562453
1-[3-chloro-2-[(cyclopropylamino)methyl]phenoxy]propan-2-ol
CID 114319207
4-ethyl-N-[[2-(methoxymethyl)phenyl]methyl]cycloheptan-1-amine
CID 65083589
N-[[3-chloro-2-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 115953858

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine (CID 103291935) is N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine is CCC1CCCC(NCc2c(Cl)cccc2OC)CC1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine?
The InChIKey is VVAVMIUUELWFKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClNO/c1-3-13-6-4-7-14(11-10-13)19-12-15-16(18)8-5-9-17(15)20-2/h5,8-9,13-14,19H,3-4,6-7,10-12H2,1-2H3.
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine?
N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine has a molecular weight of 295.85 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-4-ethylcycloheptan-1-amine is sourced from PubChem (CID 103291935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).