1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine

C18H29NO — CID 65086371

IUPAC1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCOc1ccccc1C1(N)CCCC(C(C)C)CC1
InChIInChI=1S/C18H29NO/c1-4-20-17-10-6-5-9-16(17)18(19)12-7-8-15(11-13-18)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13,19H2,1-3H3
InChIKeyAHZUUKGCBSMZOB-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.48
Rot. Bonds4

About 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine

1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine (PubChem CID 65086371) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
PubChem CID65086371
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
SMILESCCOc1ccccc1C1(N)CCCC(C(C)C)CC1
InChIInChI=1S/C18H29NO/c1-4-20-17-10-6-5-9-16(17)18(19)12-7-8-15(11-13-18)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13,19H2,1-3H3
InChIKeyAHZUUKGCBSMZOB-UHFFFAOYSA-N
XLogP4.48
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 116809940
1-(2,4-dimethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine
CID 65086707
2-(2-ethoxyphenyl)-1,3-dihydroinden-2-amine
CID 62800564
3-propan-2-yl-1-(2-propoxyphenyl)cyclohexan-1-ol
CID 107449859
1-(2-methoxyphenyl)-4-methylcycloheptan-1-amine
CID 65081298
2-(2-ethoxyphenyl)-3,4-dihydro-1H-naphthalen-2-amine
CID 62801884
1-(2-butoxyphenyl)cyclopropan-1-amine
CID 176600584
1-(2-methoxyphenyl)-4-propan-2-ylcycloheptan-1-ol
CID 65090264
1-(2-ethoxy-3-methoxyphenyl)cyclopentan-1-amine
CID 117342977
1-(2-ethoxy-5-methylphenyl)cyclobutan-1-amine
CID 117293964
1-[2-(2-methylprop-2-enoxy)phenyl]cyclohexan-1-amine
CID 117366198
1-[2-(2-methoxyethoxy)phenyl]-4,4-dimethylcycloheptan-1-amine
CID 104659085

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine (CID 65086371) is 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine is CCOc1ccccc1C1(N)CCCC(C(C)C)CC1.
What is the InChIKey of 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is AHZUUKGCBSMZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-4-20-17-10-6-5-9-16(17)18(19)12-7-8-15(11-13-18)14(2)3/h5-6,9-10,14-15H,4,7-8,11-13,19H2,1-3H3.
What are the key properties of 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine?
1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyphenyl)-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 65086371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).