N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine

C14H21NO — CID 103439093

IUPACN-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
SMILESCC(C)Oc1ccccc1C(C)NC1CC1
InChIInChI=1S/C14H21NO/c1-10(2)16-14-7-5-4-6-13(14)11(3)15-12-8-9-12/h4-7,10-12,15H,8-9H2,1-3H3
InChIKeyYHACKSFXGRUZEE-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.29
Rot. Bonds5

About N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine

N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine (PubChem CID 103439093) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
PubChem CID103439093
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine
SMILESCC(C)Oc1ccccc1C(C)NC1CC1
InChIInChI=1S/C14H21NO/c1-10(2)16-14-7-5-4-6-13(14)11(3)15-12-8-9-12/h4-7,10-12,15H,8-9H2,1-3H3
InChIKeyYHACKSFXGRUZEE-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 43612843
N-(cyclopropylmethyl)-1-(2-propan-2-yloxyphenyl)ethanamine
CID 43735006
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-1-methylpiperidin-4-amine
CID 43373385
N-[(1S)-1-(2-methoxyphenyl)ethyl]oxan-4-amine
CID 81397820
3-N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopentane-1,3-diamine
CID 79461771
N-[1-(2-methoxyphenyl)ethyl]-1-methylpiperidin-4-amine
CID 43180903
N-[1-[2-(difluoromethoxy)phenyl]ethyl]cyclopent-3-en-1-amine
CID 113262690
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64751364
N-[(1S)-1-(2-methoxyphenyl)ethyl]spiro[4.5]decan-8-amine
CID 104978861
cyclooctyl-(2-propan-2-yloxyphenyl)methanol
CID 80603247
N-[(1S)-1-(2-methoxyphenyl)ethyl]azetidin-3-amine
CID 81397207
N-[1-(2-methoxyphenyl)ethyl]-3-methylsulfanylcyclopentan-1-amine
CID 113262284

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine?
The IUPAC name of N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine (CID 103439093) is N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine?
The canonical SMILES for N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine is CC(C)Oc1ccccc1C(C)NC1CC1.
What is the InChIKey of N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine?
The InChIKey is YHACKSFXGRUZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-10(2)16-14-7-5-4-6-13(14)11(3)15-12-8-9-12/h4-7,10-12,15H,8-9H2,1-3H3.
What are the key properties of N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine?
N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine has a molecular weight of 219.33 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-propan-2-yloxyphenyl)ethyl]cyclopropanamine is sourced from PubChem (CID 103439093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).