N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine

C12H18ClNO2 — CID 115655856

IUPACN-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO2/c1-15-11-5-3-2-4-10(11)14-8-9-6-7-12(13)16-9/h6-7,10-11,14H,2-5,8H2,1H3
InChIKeyHGCOCNAXIVZXRX-UHFFFAOYSA-N
MW243.73 g/mol
LogP2.98
Rot. Bonds4

About N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine

N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine (PubChem CID 115655856) has the molecular formula C12H18ClNO2 and a molecular weight of 243.73 g/mol. Its IUPAC name is N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine
PubChem CID115655856
Molecular FormulaC12H18ClNO2
Molecular Weight243.73 g/mol
Exact Mass243.10
IUPAC NameN-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine
SMILESCOC1CCCCC1NCc1ccc(Cl)o1
InChIInChI=1S/C12H18ClNO2/c1-15-11-5-3-2-4-10(11)14-8-9-6-7-12(13)16-9/h6-7,10-11,14H,2-5,8H2,1H3
InChIKeyHGCOCNAXIVZXRX-UHFFFAOYSA-N
XLogP2.98
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.73
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[(2-methoxycyclopentyl)amino]methyl]furan-2-carbonitrile
CID 115652909
2-methoxy-N-[(4-methylphenyl)methyl]cyclohexan-1-amine
CID 43765239
N-[(5-chlorofuran-2-yl)methyl]-3-methylcyclobutan-1-amine
CID 115671447
N-(1-benzofuran-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 80701565
N-[(2,4-difluorophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 62223825
N-(cyclopropylmethyl)-2-methoxycyclohexan-1-amine
CID 43756809
N-[(5-chlorofuran-2-yl)methyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80602680
N-(furan-3-ylmethyl)-2-methoxycyclopentan-1-amine
CID 63002147
2-methoxy-N-(1,3-thiazol-5-ylmethyl)cyclohexan-1-amine
CID 115732649
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
N-[(3-chloro-4-fluorophenyl)methyl]-2-methoxycyclopentan-1-amine
CID 81144626

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine?
The IUPAC name of N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine (CID 115655856) is N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine.
What is the SMILES notation for N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine?
The canonical SMILES for N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine is COC1CCCCC1NCc1ccc(Cl)o1.
What is the InChIKey of N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine?
The InChIKey is HGCOCNAXIVZXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO2/c1-15-11-5-3-2-4-10(11)14-8-9-6-7-12(13)16-9/h6-7,10-11,14H,2-5,8H2,1H3.
What are the key properties of N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine?
N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine has a molecular weight of 243.73 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorofuran-2-yl)methyl]-2-methoxycyclohexan-1-amine is sourced from PubChem (CID 115655856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).