N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine

C18H27NO — CID 103272985

IUPACN-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine
SMILESC/C=C/c1ccccc1OC1(CCNC(C)C)CCC1
InChIInChI=1S/C18H27NO/c1-4-8-16-9-5-6-10-17(16)20-18(11-7-12-18)13-14-19-15(2)3/h4-6,8-10,15,19H,7,11-14H2,1-3H3/b8-4+
InChIKeyQDANVXJBIPBNPU-XBXARRHUSA-N
MW273.42 g/mol
LogP4.41
Rot. Bonds7

About N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine

N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine (PubChem CID 103272985) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine
PubChem CID103272985
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC NameN-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine
SMILESC/C=C/c1ccccc1OC1(CCNC(C)C)CCC1
InChIInChI=1S/C18H27NO/c1-4-8-16-9-5-6-10-17(16)20-18(11-7-12-18)13-14-19-15(2)3/h4-6,8-10,15,19H,7,11-14H2,1-3H3/b8-4+
InChIKeyQDANVXJBIPBNPU-XBXARRHUSA-N
XLogP4.41
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine?
The IUPAC name of N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine (CID 103272985) is N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine.
What is the SMILES notation for N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine?
The canonical SMILES for N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine is C/C=C/c1ccccc1OC1(CCNC(C)C)CCC1.
What is the InChIKey of N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine?
The InChIKey is QDANVXJBIPBNPU-XBXARRHUSA-N. The full InChI is InChI=1S/C18H27NO/c1-4-8-16-9-5-6-10-17(16)20-18(11-7-12-18)13-14-19-15(2)3/h4-6,8-10,15,19H,7,11-14H2,1-3H3/b8-4+.
What are the key properties of N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine?
N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 4.41, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-[(E)-prop-1-enyl]phenoxy]cyclobutyl]ethyl]propan-2-amine is sourced from PubChem (CID 103272985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).