N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine

C17H23NO — CID 68811017

IUPACN,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine
SMILESCC(C)Oc1ccccc1C1=CC(CN(C)C)=CC1
InChIInChI=1S/C17H23NO/c1-13(2)19-17-8-6-5-7-16(17)15-10-9-14(11-15)12-18(3)4/h5-9,11,13H,10,12H2,1-4H3
InChIKeyKHQZWOFLQMLPEE-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.75
Rot. Bonds5

About N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine

N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine (PubChem CID 68811017) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine
PubChem CID68811017
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC NameN,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine
SMILESCC(C)Oc1ccccc1C1=CC(CN(C)C)=CC1
InChIInChI=1S/C17H23NO/c1-13(2)19-17-8-6-5-7-16(17)15-10-9-14(11-15)12-18(3)4/h5-9,11,13H,10,12H2,1-4H3
InChIKeyKHQZWOFLQMLPEE-UHFFFAOYSA-N
XLogP3.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]phenyl]methanol
CID 68549929
N-[2-[2-[3-[(dimethylamino)methyl]cyclopenta-1,3-dien-1-yl]phenyl]propan-2-yl]-2-methylpropan-2-amine
CID 68551215
1-[4-[1-(butyliminomethyl)naphthalen-2-yl]cyclopenta-1,4-dien-1-yl]-N,N-dimethylmethanamine
CID 68544297
3-chloro-1-(2-propan-2-yloxyphenyl)cycloheptene
CID 107383757
N',N'-dimethyl-N-(2-propan-2-yloxyphenyl)ethane-1,2-diamine
CID 39245563
tris(2-propan-2-yloxyphenyl)borane
CID 5017314
1-(2-propan-2-yloxyphenyl)propane-1,2-diol
CID 103452569
N,N-dimethyl-1-[4-(1H-naphthalen-1-id-2-yl)cyclopenta-1,4-dien-1-yl]methanamine;phenylmethanol;titanium(3+);dichloride
CID 87493026
3-hydrazinyl-N,N-dimethyl-3-(2-propan-2-yloxyphenyl)propan-1-amine
CID 105259287
8-benzyl-3-(2-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 171971014
2-[(4-fluorophenyl)methyl]-5-propan-2-yloxy-3,4-dihydroisoquinolin-1-one
CID 2152023
2-methyl-3-(2-propan-2-yloxyphenyl)aniline
CID 107626705

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine?
The IUPAC name of N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine (CID 68811017) is N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine.
What is the SMILES notation for N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine?
The canonical SMILES for N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine is CC(C)Oc1ccccc1C1=CC(CN(C)C)=CC1.
What is the InChIKey of N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine?
The InChIKey is KHQZWOFLQMLPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(2)19-17-8-6-5-7-16(17)15-10-9-14(11-15)12-18(3)4/h5-9,11,13H,10,12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine?
N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[4-(2-propan-2-yloxyphenyl)cyclopenta-1,4-dien-1-yl]methanamine is sourced from PubChem (CID 68811017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).